USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 909 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 CYS SG : rot 180:sc=-0.00165 USER MOD Set 1.2: A 116 HIS : no HD1:sc= -2.89! C(o=-2.9!,f=-3.2!) USER MOD Set 2.1: A 70 ASN : amide:sc= -0.0411 K(o=-0.041,f=-1.1) USER MOD Set 2.2: A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 41 LYS NZ :NH3+ -119:sc= -1.23 (180deg=-3.29!) USER MOD Set 3.2: A 49 GLN : amide:sc= -0.974 K(o=-3.9,f=-5.8) USER MOD Set 3.3: A 64 ASN : amide:sc= -1.72 K(o=-3.9,f=-7.7!) USER MOD Single : A 16 TYR OH : rot 30:sc= -0.975 USER MOD Single : A 17 SER OG : rot 33:sc= 0.499 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -116:sc= -1.34 (180deg=-2.88) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 148:sc= 0 (180deg=-1.09) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.687) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 43 THR OG1 : rot -65:sc= 0.00186 USER MOD Single : A 45 ASN : amide:sc= -0.126 X(o=-0.13,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.0199 K(o=-0.02,f=-1.1) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -110:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -1.32 K(o=-1.3,f=-2.2!) USER MOD Single : A 71 MET CE :methyl 150:sc= -0.281 (180deg=-0.984) USER MOD Single : A 74 THR OG1 : rot 180:sc= -1 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.389 USER MOD Single : A 78 LYS NZ :NH3+ -167:sc=-0.00188 (180deg=-0.107) USER MOD Single : A 79 ASN : amide:sc= -1.02 X(o=-1,f=-1.5!) USER MOD Single : A 80 ASN : amide:sc= -3.38 K(o=-3.4,f=-6.2!) USER MOD Single : A 85 CYS SG : rot -9:sc= -0.923 USER MOD Single : A 88 ASN : amide:sc= -1.72 K(o=-1.7,f=-4.3!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= 0.751 K(o=0.75,f=-0.35) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl -157:sc= -1.16 (180deg=-1.63) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 170:sc= -0.604 USER MOD Single : A 109 SER OG : rot 180:sc= -0.0487 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ -117:sc= 0.194 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 96 N ALA A 14 0.065 6.288 -12.214 1.00 0.00 N ATOM 97 CA ALA A 14 0.273 6.581 -10.801 1.00 0.00 C ATOM 98 C ALA A 14 0.922 7.949 -10.615 1.00 0.00 C ATOM 99 O ALA A 14 2.013 8.204 -11.126 1.00 0.00 O ATOM 100 CB ALA A 14 1.126 5.498 -10.158 1.00 0.00 C ATOM 0 HA ALA A 14 -0.701 6.600 -10.311 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.273 5.729 -9.103 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.623 4.535 -10.252 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.093 5.452 -10.658 1.00 0.00 H new ATOM 106 N PHE A 15 0.245 8.825 -9.880 1.00 0.00 N ATOM 107 CA PHE A 15 0.756 10.167 -9.627 1.00 0.00 C ATOM 108 C PHE A 15 1.939 10.127 -8.665 1.00 0.00 C ATOM 109 O PHE A 15 2.970 10.757 -8.905 1.00 0.00 O ATOM 110 CB PHE A 15 -0.350 11.057 -9.056 1.00 0.00 C ATOM 111 CG PHE A 15 -1.039 10.464 -7.861 1.00 0.00 C ATOM 112 CD1 PHE A 15 -2.135 9.631 -8.019 1.00 0.00 C ATOM 113 CD2 PHE A 15 -0.591 10.739 -6.579 1.00 0.00 C ATOM 114 CE1 PHE A 15 -2.772 9.085 -6.920 1.00 0.00 C ATOM 115 CE2 PHE A 15 -1.223 10.195 -5.476 1.00 0.00 C ATOM 116 CZ PHE A 15 -2.314 9.366 -5.647 1.00 0.00 C ATOM 0 H PHE A 15 -0.659 8.630 -9.449 1.00 0.00 H new ATOM 0 HA PHE A 15 1.096 10.584 -10.575 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.077 12.021 -8.778 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.089 11.248 -9.834 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.496 9.406 -9.012 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.262 11.386 -6.440 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.627 8.439 -7.056 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.864 10.418 -4.482 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.808 8.938 -4.787 1.00 0.00 H new ATOM 126 N TYR A 16 1.783 9.383 -7.576 1.00 0.00 N ATOM 127 CA TYR A 16 2.837 9.262 -6.576 1.00 0.00 C ATOM 128 C TYR A 16 3.655 7.993 -6.796 1.00 0.00 C ATOM 129 O TYR A 16 3.197 6.888 -6.508 1.00 0.00 O ATOM 130 CB TYR A 16 2.236 9.256 -5.169 1.00 0.00 C ATOM 131 CG TYR A 16 3.271 9.293 -4.068 1.00 0.00 C ATOM 132 CD1 TYR A 16 4.120 10.383 -3.922 1.00 0.00 C ATOM 133 CD2 TYR A 16 3.399 8.239 -3.172 1.00 0.00 C ATOM 134 CE1 TYR A 16 5.068 10.421 -2.917 1.00 0.00 C ATOM 135 CE2 TYR A 16 4.343 8.268 -2.164 1.00 0.00 C ATOM 136 CZ TYR A 16 5.175 9.361 -2.041 1.00 0.00 C ATOM 137 OH TYR A 16 6.117 9.395 -1.038 1.00 0.00 O ATOM 0 H TYR A 16 0.937 8.855 -7.363 1.00 0.00 H new ATOM 0 HA TYR A 16 3.499 10.122 -6.678 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.574 10.115 -5.062 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.622 8.363 -5.049 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.038 11.215 -4.606 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.749 7.382 -3.265 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.721 11.276 -2.818 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.429 7.440 -1.476 1.00 0.00 H new ATOM 0 HH TYR A 16 6.277 10.324 -0.771 1.00 0.00 H new ATOM 147 N SER A 17 4.870 8.162 -7.309 1.00 0.00 N ATOM 148 CA SER A 17 5.752 7.032 -7.572 1.00 0.00 C ATOM 149 C SER A 17 7.059 7.171 -6.797 1.00 0.00 C ATOM 150 O SER A 17 7.816 8.120 -6.998 1.00 0.00 O ATOM 151 CB SER A 17 6.044 6.923 -9.070 1.00 0.00 C ATOM 152 OG SER A 17 6.726 8.072 -9.542 1.00 0.00 O ATOM 0 H SER A 17 5.265 9.071 -7.550 1.00 0.00 H new ATOM 0 HA SER A 17 5.247 6.125 -7.240 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.645 6.035 -9.263 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.110 6.800 -9.618 1.00 0.00 H new ATOM 0 HG SER A 17 7.306 8.422 -8.834 1.00 0.00 H new ATOM 158 N LYS A 18 7.317 6.216 -5.910 1.00 0.00 N ATOM 159 CA LYS A 18 8.532 6.229 -5.104 1.00 0.00 C ATOM 160 C LYS A 18 8.892 4.821 -4.640 1.00 0.00 C ATOM 161 O LYS A 18 8.065 4.115 -4.063 1.00 0.00 O ATOM 162 CB LYS A 18 8.355 7.146 -3.892 1.00 0.00 C ATOM 163 CG LYS A 18 9.640 7.388 -3.119 1.00 0.00 C ATOM 164 CD LYS A 18 10.385 8.605 -3.642 1.00 0.00 C ATOM 165 CE LYS A 18 11.432 8.216 -4.675 1.00 0.00 C ATOM 166 NZ LYS A 18 12.759 7.960 -4.050 1.00 0.00 N ATOM 0 H LYS A 18 6.701 5.423 -5.731 1.00 0.00 H new ATOM 0 HA LYS A 18 9.345 6.608 -5.724 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.957 8.104 -4.227 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.615 6.709 -3.222 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.409 7.528 -2.063 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.281 6.509 -3.192 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.676 9.304 -4.086 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.866 9.123 -2.812 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.103 7.324 -5.207 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.526 9.012 -5.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.445 7.698 -4.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.085 8.819 -3.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.675 7.184 -3.363 1.00 0.00 H new ATOM 180 N LYS A 19 10.133 4.418 -4.896 1.00 0.00 N ATOM 181 CA LYS A 19 10.604 3.096 -4.503 1.00 0.00 C ATOM 182 C LYS A 19 10.697 2.980 -2.985 1.00 0.00 C ATOM 183 O LYS A 19 11.186 3.889 -2.312 1.00 0.00 O ATOM 184 CB LYS A 19 11.971 2.812 -5.131 1.00 0.00 C ATOM 185 CG LYS A 19 13.047 3.802 -4.721 1.00 0.00 C ATOM 186 CD LYS A 19 14.438 3.215 -4.887 1.00 0.00 C ATOM 187 CE LYS A 19 14.949 3.388 -6.309 1.00 0.00 C ATOM 188 NZ LYS A 19 16.269 2.729 -6.509 1.00 0.00 N ATOM 0 H LYS A 19 10.830 4.989 -5.374 1.00 0.00 H new ATOM 0 HA LYS A 19 9.885 2.360 -4.863 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.288 1.807 -4.851 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.872 2.825 -6.216 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.959 4.706 -5.323 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.896 4.095 -3.682 1.00 0.00 H new ATOM 0 HD2 LYS A 19 15.124 3.699 -4.191 1.00 0.00 H new ATOM 0 HD3 LYS A 19 14.420 2.155 -4.632 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.225 2.970 -7.008 1.00 0.00 H new ATOM 0 HE3 LYS A 19 15.035 4.450 -6.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 16.582 2.870 -7.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 16.967 3.145 -5.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 16.181 1.711 -6.317 1.00 0.00 H new ATOM 202 N CYS A 20 10.226 1.858 -2.452 1.00 0.00 N ATOM 203 CA CYS A 20 10.257 1.624 -1.013 1.00 0.00 C ATOM 204 C CYS A 20 10.064 0.144 -0.698 1.00 0.00 C ATOM 205 O CYS A 20 9.726 -0.650 -1.577 1.00 0.00 O ATOM 206 CB CYS A 20 9.175 2.450 -0.317 1.00 0.00 C ATOM 207 SG CYS A 20 7.498 2.120 -0.909 1.00 0.00 S ATOM 0 H CYS A 20 9.818 1.097 -2.995 1.00 0.00 H new ATOM 0 HA CYS A 20 11.234 1.932 -0.642 1.00 0.00 H new ATOM 0 HB2 CYS A 20 9.216 2.253 0.754 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.396 3.508 -0.455 1.00 0.00 H new ATOM 0 HG CYS A 20 6.654 2.865 -0.259 1.00 0.00 H new ATOM 213 N LYS A 21 10.282 -0.222 0.560 1.00 0.00 N ATOM 214 CA LYS A 21 10.133 -1.607 0.992 1.00 0.00 C ATOM 215 C LYS A 21 8.902 -1.771 1.878 1.00 0.00 C ATOM 216 O LYS A 21 8.393 -0.798 2.437 1.00 0.00 O ATOM 217 CB LYS A 21 11.382 -2.065 1.747 1.00 0.00 C ATOM 218 CG LYS A 21 12.455 -2.654 0.847 1.00 0.00 C ATOM 219 CD LYS A 21 13.753 -2.885 1.603 1.00 0.00 C ATOM 220 CE LYS A 21 14.639 -1.649 1.580 1.00 0.00 C ATOM 221 NZ LYS A 21 14.366 -0.749 2.735 1.00 0.00 N ATOM 0 H LYS A 21 10.563 0.422 1.300 1.00 0.00 H new ATOM 0 HA LYS A 21 10.005 -2.226 0.104 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.800 -1.217 2.289 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.095 -2.809 2.490 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.103 -3.598 0.430 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.636 -1.982 0.008 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.531 -3.156 2.635 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.288 -3.726 1.161 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.686 -1.952 1.595 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.479 -1.104 0.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.997 0.159 2.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.664 -1.192 3.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.247 -0.585 3.263 1.00 0.00 H new ATOM 235 N LEU A 22 8.430 -3.006 2.004 1.00 0.00 N ATOM 236 CA LEU A 22 7.259 -3.298 2.824 1.00 0.00 C ATOM 237 C LEU A 22 7.604 -4.285 3.934 1.00 0.00 C ATOM 238 O LEU A 22 8.269 -5.294 3.697 1.00 0.00 O ATOM 239 CB LEU A 22 6.132 -3.861 1.957 1.00 0.00 C ATOM 240 CG LEU A 22 5.222 -2.832 1.286 1.00 0.00 C ATOM 241 CD1 LEU A 22 4.430 -3.474 0.157 1.00 0.00 C ATOM 242 CD2 LEU A 22 4.285 -2.203 2.307 1.00 0.00 C ATOM 0 H LEU A 22 8.840 -3.822 1.549 1.00 0.00 H new ATOM 0 HA LEU A 22 6.926 -2.367 3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.575 -4.485 1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.515 -4.512 2.576 1.00 0.00 H new ATOM 0 HG LEU A 22 5.846 -2.045 0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.788 -2.726 -0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.118 -3.876 -0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.816 -4.281 0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.645 -1.473 1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.668 -2.978 2.761 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.871 -1.706 3.081 1.00 0.00 H new ATOM 254 N PHE A 23 7.147 -3.988 5.146 1.00 0.00 N ATOM 255 CA PHE A 23 7.406 -4.850 6.293 1.00 0.00 C ATOM 256 C PHE A 23 6.133 -5.075 7.104 1.00 0.00 C ATOM 257 O PHE A 23 5.260 -4.209 7.162 1.00 0.00 O ATOM 258 CB PHE A 23 8.489 -4.238 7.184 1.00 0.00 C ATOM 259 CG PHE A 23 9.727 -3.837 6.433 1.00 0.00 C ATOM 260 CD1 PHE A 23 9.796 -2.613 5.787 1.00 0.00 C ATOM 261 CD2 PHE A 23 10.822 -4.685 6.373 1.00 0.00 C ATOM 262 CE1 PHE A 23 10.934 -2.243 5.095 1.00 0.00 C ATOM 263 CE2 PHE A 23 11.962 -4.320 5.683 1.00 0.00 C ATOM 264 CZ PHE A 23 12.018 -3.097 5.044 1.00 0.00 C ATOM 0 H PHE A 23 6.595 -3.157 5.359 1.00 0.00 H new ATOM 0 HA PHE A 23 7.753 -5.813 5.920 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.081 -3.363 7.689 1.00 0.00 H new ATOM 0 HB3 PHE A 23 8.760 -4.956 7.958 1.00 0.00 H new ATOM 0 HD1 PHE A 23 8.951 -1.941 5.825 1.00 0.00 H new ATOM 0 HD2 PHE A 23 10.784 -5.642 6.872 1.00 0.00 H new ATOM 0 HE1 PHE A 23 10.975 -1.287 4.595 1.00 0.00 H new ATOM 0 HE2 PHE A 23 12.808 -4.990 5.643 1.00 0.00 H new ATOM 0 HZ PHE A 23 12.908 -2.809 4.505 1.00 0.00 H new ATOM 274 N TYR A 24 6.034 -6.244 7.726 1.00 0.00 N ATOM 275 CA TYR A 24 4.867 -6.586 8.531 1.00 0.00 C ATOM 276 C TYR A 24 5.284 -7.116 9.899 1.00 0.00 C ATOM 277 O TYR A 24 6.379 -7.657 10.061 1.00 0.00 O ATOM 278 CB TYR A 24 4.010 -7.626 7.808 1.00 0.00 C ATOM 279 CG TYR A 24 4.815 -8.723 7.150 1.00 0.00 C ATOM 280 CD1 TYR A 24 5.412 -9.723 7.909 1.00 0.00 C ATOM 281 CD2 TYR A 24 4.980 -8.760 5.771 1.00 0.00 C ATOM 282 CE1 TYR A 24 6.150 -10.728 7.313 1.00 0.00 C ATOM 283 CE2 TYR A 24 5.715 -9.762 5.167 1.00 0.00 C ATOM 284 CZ TYR A 24 6.298 -10.743 5.942 1.00 0.00 C ATOM 285 OH TYR A 24 7.032 -11.742 5.343 1.00 0.00 O ATOM 0 H TYR A 24 6.748 -6.971 7.688 1.00 0.00 H new ATOM 0 HA TYR A 24 4.280 -5.679 8.677 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.318 -8.073 8.521 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.408 -7.125 7.050 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.297 -9.714 8.983 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.526 -7.993 5.161 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.608 -11.497 7.917 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.832 -9.777 4.094 1.00 0.00 H new ATOM 0 HH TYR A 24 7.037 -11.607 4.372 1.00 0.00 H new ATOM 295 N LYS A 25 4.404 -6.959 10.881 1.00 0.00 N ATOM 296 CA LYS A 25 4.677 -7.423 12.236 1.00 0.00 C ATOM 297 C LYS A 25 4.152 -8.840 12.442 1.00 0.00 C ATOM 298 O LYS A 25 2.945 -9.078 12.402 1.00 0.00 O ATOM 299 CB LYS A 25 4.041 -6.478 13.259 1.00 0.00 C ATOM 300 CG LYS A 25 4.730 -6.494 14.612 1.00 0.00 C ATOM 301 CD LYS A 25 4.325 -5.299 15.458 1.00 0.00 C ATOM 302 CE LYS A 25 4.472 -5.592 16.943 1.00 0.00 C ATOM 303 NZ LYS A 25 4.643 -4.345 17.740 1.00 0.00 N ATOM 0 H LYS A 25 3.494 -6.513 10.764 1.00 0.00 H new ATOM 0 HA LYS A 25 5.757 -7.430 12.380 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.059 -5.462 12.863 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.994 -6.750 13.391 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.479 -7.415 15.138 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.811 -6.492 14.471 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.940 -4.439 15.193 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.291 -5.031 15.240 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.593 -6.131 17.296 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.330 -6.245 17.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.740 -4.587 18.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.496 -3.843 17.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.812 -3.733 17.609 1.00 0.00 H new ATOM 317 N LYS A 26 5.066 -9.778 12.664 1.00 0.00 N ATOM 318 CA LYS A 26 4.696 -11.172 12.879 1.00 0.00 C ATOM 319 C LYS A 26 5.589 -11.815 13.936 1.00 0.00 C ATOM 320 O LYS A 26 6.815 -11.773 13.836 1.00 0.00 O ATOM 321 CB LYS A 26 4.795 -11.956 11.568 1.00 0.00 C ATOM 322 CG LYS A 26 3.670 -11.656 10.594 1.00 0.00 C ATOM 323 CD LYS A 26 3.380 -12.845 9.693 1.00 0.00 C ATOM 324 CE LYS A 26 4.494 -13.062 8.681 1.00 0.00 C ATOM 325 NZ LYS A 26 4.387 -14.390 8.014 1.00 0.00 N ATOM 0 H LYS A 26 6.069 -9.598 12.700 1.00 0.00 H new ATOM 0 HA LYS A 26 3.666 -11.198 13.234 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.748 -11.730 11.090 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.796 -13.023 11.792 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.770 -11.390 11.148 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.936 -10.793 9.984 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.259 -13.742 10.300 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.437 -12.685 9.169 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.460 -12.274 7.929 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.459 -12.984 9.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.746 -14.319 7.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.949 -15.089 8.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.391 -14.690 7.995 1.00 0.00 H new ATOM 339 N ASP A 27 4.965 -12.409 14.947 1.00 0.00 N ATOM 340 CA ASP A 27 5.703 -13.063 16.022 1.00 0.00 C ATOM 341 C ASP A 27 6.607 -12.069 16.744 1.00 0.00 C ATOM 342 O ASP A 27 7.728 -12.399 17.128 1.00 0.00 O ATOM 343 CB ASP A 27 6.537 -14.219 15.467 1.00 0.00 C ATOM 344 CG ASP A 27 6.864 -15.256 16.523 1.00 0.00 C ATOM 345 OD1 ASP A 27 6.046 -16.179 16.722 1.00 0.00 O ATOM 346 OD2 ASP A 27 7.938 -15.146 17.150 1.00 0.00 O ATOM 0 H ASP A 27 3.951 -12.451 15.045 1.00 0.00 H new ATOM 0 HA ASP A 27 4.981 -13.456 16.738 1.00 0.00 H new ATOM 0 HB2 ASP A 27 5.995 -14.695 14.650 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.464 -13.826 15.048 1.00 0.00 H new ATOM 351 N ASN A 28 6.111 -10.849 16.924 1.00 0.00 N ATOM 352 CA ASN A 28 6.874 -9.805 17.599 1.00 0.00 C ATOM 353 C ASN A 28 8.158 -9.492 16.837 1.00 0.00 C ATOM 354 O ASN A 28 9.221 -9.328 17.435 1.00 0.00 O ATOM 355 CB ASN A 28 7.208 -10.232 19.030 1.00 0.00 C ATOM 356 CG ASN A 28 5.967 -10.553 19.842 1.00 0.00 C ATOM 357 OD1 ASN A 28 5.327 -9.659 20.397 1.00 0.00 O ATOM 358 ND2 ASN A 28 5.622 -11.833 19.915 1.00 0.00 N ATOM 0 H ASN A 28 5.184 -10.559 16.612 1.00 0.00 H new ATOM 0 HA ASN A 28 6.261 -8.904 17.630 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.858 -11.107 19.003 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.766 -9.436 19.523 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.797 -12.109 20.447 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.182 -12.540 19.439 1.00 0.00 H new ATOM 365 N GLU A 29 8.050 -9.410 15.515 1.00 0.00 N ATOM 366 CA GLU A 29 9.204 -9.117 14.672 1.00 0.00 C ATOM 367 C GLU A 29 8.763 -8.552 13.325 1.00 0.00 C ATOM 368 O GLU A 29 7.690 -8.884 12.820 1.00 0.00 O ATOM 369 CB GLU A 29 10.042 -10.379 14.458 1.00 0.00 C ATOM 370 CG GLU A 29 11.467 -10.096 14.015 1.00 0.00 C ATOM 371 CD GLU A 29 12.259 -11.362 13.751 1.00 0.00 C ATOM 372 OE1 GLU A 29 11.967 -12.390 14.397 1.00 0.00 O ATOM 373 OE2 GLU A 29 13.170 -11.324 12.898 1.00 0.00 O ATOM 0 H GLU A 29 7.177 -9.542 15.005 1.00 0.00 H new ATOM 0 HA GLU A 29 9.812 -8.368 15.180 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.066 -10.951 15.386 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.556 -11.005 13.710 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.448 -9.489 13.110 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.972 -9.509 14.782 1.00 0.00 H new ATOM 380 N PHE A 30 9.599 -7.695 12.747 1.00 0.00 N ATOM 381 CA PHE A 30 9.296 -7.081 11.460 1.00 0.00 C ATOM 382 C PHE A 30 10.073 -7.762 10.337 1.00 0.00 C ATOM 383 O PHE A 30 11.303 -7.720 10.303 1.00 0.00 O ATOM 384 CB PHE A 30 9.627 -5.588 11.492 1.00 0.00 C ATOM 385 CG PHE A 30 8.564 -4.752 12.147 1.00 0.00 C ATOM 386 CD1 PHE A 30 8.454 -4.705 13.527 1.00 0.00 C ATOM 387 CD2 PHE A 30 7.676 -4.014 11.382 1.00 0.00 C ATOM 388 CE1 PHE A 30 7.477 -3.938 14.132 1.00 0.00 C ATOM 389 CE2 PHE A 30 6.696 -3.244 11.981 1.00 0.00 C ATOM 390 CZ PHE A 30 6.598 -3.205 13.358 1.00 0.00 C ATOM 0 H PHE A 30 10.492 -7.410 13.150 1.00 0.00 H new ATOM 0 HA PHE A 30 8.230 -7.205 11.268 1.00 0.00 H new ATOM 0 HB2 PHE A 30 10.569 -5.444 12.022 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.778 -5.235 10.472 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.140 -5.274 14.137 1.00 0.00 H new ATOM 0 HD2 PHE A 30 7.750 -4.040 10.305 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.400 -3.911 15.209 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.009 -2.674 11.373 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.835 -2.602 13.829 1.00 0.00 H new ATOM 400 N LYS A 31 9.346 -8.390 9.418 1.00 0.00 N ATOM 401 CA LYS A 31 9.965 -9.080 8.293 1.00 0.00 C ATOM 402 C LYS A 31 9.791 -8.283 7.004 1.00 0.00 C ATOM 403 O LYS A 31 8.885 -7.457 6.892 1.00 0.00 O ATOM 404 CB LYS A 31 9.359 -10.475 8.128 1.00 0.00 C ATOM 405 CG LYS A 31 9.909 -11.497 9.107 1.00 0.00 C ATOM 406 CD LYS A 31 11.225 -12.081 8.624 1.00 0.00 C ATOM 407 CE LYS A 31 11.510 -13.427 9.273 1.00 0.00 C ATOM 408 NZ LYS A 31 12.052 -13.274 10.651 1.00 0.00 N ATOM 0 H LYS A 31 8.327 -8.435 9.431 1.00 0.00 H new ATOM 0 HA LYS A 31 11.031 -9.176 8.499 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.278 -10.409 8.253 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.542 -10.823 7.111 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.054 -11.028 10.080 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.183 -12.298 9.244 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.197 -12.197 7.541 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.036 -11.388 8.849 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.593 -14.015 9.307 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.222 -13.981 8.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.233 -14.213 11.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.940 -12.734 10.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.362 -12.767 11.241 1.00 0.00 H new ATOM 422 N GLU A 32 10.664 -8.537 6.034 1.00 0.00 N ATOM 423 CA GLU A 32 10.605 -7.842 4.753 1.00 0.00 C ATOM 424 C GLU A 32 9.712 -8.592 3.768 1.00 0.00 C ATOM 425 O GLU A 32 10.031 -9.704 3.346 1.00 0.00 O ATOM 426 CB GLU A 32 12.010 -7.685 4.167 1.00 0.00 C ATOM 427 CG GLU A 32 12.024 -7.084 2.772 1.00 0.00 C ATOM 428 CD GLU A 32 13.237 -7.508 1.967 1.00 0.00 C ATOM 429 OE1 GLU A 32 13.282 -8.677 1.531 1.00 0.00 O ATOM 430 OE2 GLU A 32 14.142 -6.669 1.773 1.00 0.00 O ATOM 0 H GLU A 32 11.420 -9.218 6.111 1.00 0.00 H new ATOM 0 HA GLU A 32 10.178 -6.854 4.924 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.603 -7.056 4.831 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.493 -8.661 4.138 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.119 -7.382 2.243 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.005 -5.997 2.848 1.00 0.00 H new ATOM 437 N LYS A 33 8.592 -7.976 3.407 1.00 0.00 N ATOM 438 CA LYS A 33 7.652 -8.582 2.472 1.00 0.00 C ATOM 439 C LYS A 33 8.272 -8.711 1.084 1.00 0.00 C ATOM 440 O LYS A 33 8.121 -9.735 0.419 1.00 0.00 O ATOM 441 CB LYS A 33 6.370 -7.750 2.393 1.00 0.00 C ATOM 442 CG LYS A 33 5.350 -8.296 1.409 1.00 0.00 C ATOM 443 CD LYS A 33 4.547 -9.436 2.012 1.00 0.00 C ATOM 444 CE LYS A 33 3.378 -9.828 1.121 1.00 0.00 C ATOM 445 NZ LYS A 33 2.798 -11.142 1.513 1.00 0.00 N ATOM 0 H LYS A 33 8.313 -7.056 3.748 1.00 0.00 H new ATOM 0 HA LYS A 33 7.408 -9.580 2.837 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.917 -7.701 3.383 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.626 -6.729 2.109 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.675 -7.497 1.103 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.860 -8.644 0.511 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.196 -10.299 2.163 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.175 -9.141 2.993 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.607 -9.060 1.175 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.711 -9.873 0.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.509 -11.662 0.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.510 -11.695 2.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.969 -10.988 2.122 1.00 0.00 H new ATOM 459 N GLY A 34 8.972 -7.666 0.654 1.00 0.00 N ATOM 460 CA GLY A 34 9.606 -7.684 -0.652 1.00 0.00 C ATOM 461 C GLY A 34 9.877 -6.291 -1.184 1.00 0.00 C ATOM 462 O GLY A 34 9.054 -5.388 -1.026 1.00 0.00 O ATOM 0 H GLY A 34 9.112 -6.807 1.186 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.545 -8.235 -0.589 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.968 -8.220 -1.355 1.00 0.00 H new ATOM 466 N ILE A 35 11.032 -6.115 -1.816 1.00 0.00 N ATOM 467 CA ILE A 35 11.409 -4.821 -2.372 1.00 0.00 C ATOM 468 C ILE A 35 10.686 -4.558 -3.688 1.00 0.00 C ATOM 469 O ILE A 35 10.705 -5.387 -4.597 1.00 0.00 O ATOM 470 CB ILE A 35 12.928 -4.731 -2.607 1.00 0.00 C ATOM 471 CG1 ILE A 35 13.683 -4.940 -1.293 1.00 0.00 C ATOM 472 CG2 ILE A 35 13.290 -3.388 -3.224 1.00 0.00 C ATOM 473 CD1 ILE A 35 15.117 -5.384 -1.484 1.00 0.00 C ATOM 0 H ILE A 35 11.723 -6.852 -1.956 1.00 0.00 H new ATOM 0 HA ILE A 35 11.117 -4.066 -1.642 1.00 0.00 H new ATOM 0 HB ILE A 35 13.220 -5.519 -3.301 1.00 0.00 H new ATOM 0 HG12 ILE A 35 13.672 -4.010 -0.725 1.00 0.00 H new ATOM 0 HG13 ILE A 35 13.157 -5.685 -0.696 1.00 0.00 H new ATOM 0 HG21 ILE A 35 14.367 -3.340 -3.384 1.00 0.00 H new ATOM 0 HG22 ILE A 35 12.776 -3.276 -4.179 1.00 0.00 H new ATOM 0 HG23 ILE A 35 12.987 -2.585 -2.552 1.00 0.00 H new ATOM 0 HD11 ILE A 35 15.591 -5.513 -0.511 1.00 0.00 H new ATOM 0 HD12 ILE A 35 15.136 -6.330 -2.025 1.00 0.00 H new ATOM 0 HD13 ILE A 35 15.659 -4.629 -2.054 1.00 0.00 H new ATOM 485 N GLY A 36 10.048 -3.394 -3.784 1.00 0.00 N ATOM 486 CA GLY A 36 9.329 -3.040 -4.994 1.00 0.00 C ATOM 487 C GLY A 36 9.100 -1.547 -5.117 1.00 0.00 C ATOM 488 O GLY A 36 9.862 -0.747 -4.571 1.00 0.00 O ATOM 0 H GLY A 36 10.017 -2.691 -3.046 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.888 -3.391 -5.861 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.368 -3.554 -5.005 1.00 0.00 H new ATOM 492 N THR A 37 8.049 -1.168 -5.836 1.00 0.00 N ATOM 493 CA THR A 37 7.724 0.239 -6.032 1.00 0.00 C ATOM 494 C THR A 37 6.253 0.510 -5.738 1.00 0.00 C ATOM 495 O THR A 37 5.385 -0.304 -6.058 1.00 0.00 O ATOM 496 CB THR A 37 8.041 0.695 -7.469 1.00 0.00 C ATOM 497 OG1 THR A 37 9.372 0.305 -7.824 1.00 0.00 O ATOM 498 CG2 THR A 37 7.896 2.203 -7.603 1.00 0.00 C ATOM 0 H THR A 37 7.408 -1.816 -6.293 1.00 0.00 H new ATOM 0 HA THR A 37 8.342 0.805 -5.335 1.00 0.00 H new ATOM 0 HB THR A 37 7.331 0.217 -8.143 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.565 0.597 -8.739 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.125 2.501 -8.626 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.874 2.493 -7.361 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.585 2.697 -6.918 1.00 0.00 H new ATOM 506 N LEU A 38 5.978 1.657 -5.128 1.00 0.00 N ATOM 507 CA LEU A 38 4.610 2.036 -4.791 1.00 0.00 C ATOM 508 C LEU A 38 3.998 2.901 -5.888 1.00 0.00 C ATOM 509 O LEU A 38 4.631 3.835 -6.382 1.00 0.00 O ATOM 510 CB LEU A 38 4.581 2.786 -3.458 1.00 0.00 C ATOM 511 CG LEU A 38 3.240 3.409 -3.068 1.00 0.00 C ATOM 512 CD1 LEU A 38 2.928 4.605 -3.953 1.00 0.00 C ATOM 513 CD2 LEU A 38 2.126 2.375 -3.154 1.00 0.00 C ATOM 0 H LEU A 38 6.684 2.341 -4.856 1.00 0.00 H new ATOM 0 HA LEU A 38 4.019 1.125 -4.701 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.882 2.096 -2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.330 3.577 -3.493 1.00 0.00 H new ATOM 0 HG LEU A 38 3.309 3.755 -2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.970 5.034 -3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.711 5.355 -3.841 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.879 4.285 -4.994 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.179 2.836 -2.873 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.057 1.998 -4.174 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.343 1.549 -2.476 1.00 0.00 H new ATOM 525 N HIS A 39 2.763 2.586 -6.264 1.00 0.00 N ATOM 526 CA HIS A 39 2.065 3.337 -7.302 1.00 0.00 C ATOM 527 C HIS A 39 0.631 3.642 -6.879 1.00 0.00 C ATOM 528 O HIS A 39 -0.194 2.737 -6.745 1.00 0.00 O ATOM 529 CB HIS A 39 2.066 2.555 -8.616 1.00 0.00 C ATOM 530 CG HIS A 39 3.426 2.416 -9.229 1.00 0.00 C ATOM 531 ND1 HIS A 39 4.007 3.400 -10.001 1.00 0.00 N ATOM 532 CD2 HIS A 39 4.320 1.402 -9.179 1.00 0.00 C ATOM 533 CE1 HIS A 39 5.199 2.996 -10.400 1.00 0.00 C ATOM 534 NE2 HIS A 39 5.414 1.787 -9.915 1.00 0.00 N ATOM 0 H HIS A 39 2.225 1.816 -5.866 1.00 0.00 H new ATOM 0 HA HIS A 39 2.591 4.280 -7.450 1.00 0.00 H new ATOM 0 HB2 HIS A 39 1.653 1.562 -8.439 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.405 3.053 -9.326 1.00 0.00 H new ATOM 0 HD2 HIS A 39 4.197 0.464 -8.658 1.00 0.00 H new ATOM 0 HE1 HIS A 39 5.882 3.559 -11.018 1.00 0.00 H new ATOM 0 HE2 HIS A 39 6.255 1.230 -10.063 1.00 0.00 H new ATOM 542 N LEU A 40 0.340 4.921 -6.671 1.00 0.00 N ATOM 543 CA LEU A 40 -0.995 5.346 -6.263 1.00 0.00 C ATOM 544 C LEU A 40 -1.821 5.778 -7.470 1.00 0.00 C ATOM 545 O LEU A 40 -1.509 6.771 -8.127 1.00 0.00 O ATOM 546 CB LEU A 40 -0.901 6.495 -5.257 1.00 0.00 C ATOM 547 CG LEU A 40 -0.703 6.092 -3.795 1.00 0.00 C ATOM 548 CD1 LEU A 40 -0.376 7.311 -2.946 1.00 0.00 C ATOM 549 CD2 LEU A 40 -1.943 5.388 -3.264 1.00 0.00 C ATOM 0 H LEU A 40 1.010 5.682 -6.778 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.491 4.498 -5.791 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.074 7.141 -5.550 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.811 7.090 -5.329 1.00 0.00 H new ATOM 0 HG LEU A 40 0.136 5.399 -3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.238 7.006 -1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.540 7.774 -3.312 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.195 8.028 -3.008 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.785 5.108 -2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.800 6.058 -3.333 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.134 4.492 -3.855 1.00 0.00 H new ATOM 561 N LYS A 41 -2.880 5.027 -7.755 1.00 0.00 N ATOM 562 CA LYS A 41 -3.755 5.333 -8.881 1.00 0.00 C ATOM 563 C LYS A 41 -5.152 5.707 -8.397 1.00 0.00 C ATOM 564 O LYS A 41 -5.734 5.049 -7.534 1.00 0.00 O ATOM 565 CB LYS A 41 -3.836 4.135 -9.830 1.00 0.00 C ATOM 566 CG LYS A 41 -2.484 3.683 -10.356 1.00 0.00 C ATOM 567 CD LYS A 41 -2.501 2.216 -10.749 1.00 0.00 C ATOM 568 CE LYS A 41 -2.025 1.328 -9.610 1.00 0.00 C ATOM 569 NZ LYS A 41 -3.157 0.844 -8.773 1.00 0.00 N ATOM 0 H LYS A 41 -3.153 4.202 -7.221 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.334 6.185 -9.416 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.311 3.303 -9.311 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.477 4.393 -10.673 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.207 4.289 -11.219 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.722 3.848 -9.594 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.511 1.928 -11.039 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.864 2.064 -11.620 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.484 0.474 -10.017 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.323 1.882 -8.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.037 1.183 -7.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.053 1.206 -9.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.173 -0.196 -8.779 1.00 0.00 H new ATOM 583 N PRO A 42 -5.706 6.788 -8.966 1.00 0.00 N ATOM 584 CA PRO A 42 -7.043 7.272 -8.609 1.00 0.00 C ATOM 585 C PRO A 42 -8.146 6.334 -9.087 1.00 0.00 C ATOM 586 O PRO A 42 -8.184 5.947 -10.256 1.00 0.00 O ATOM 587 CB PRO A 42 -7.137 8.619 -9.331 1.00 0.00 C ATOM 588 CG PRO A 42 -6.193 8.500 -10.478 1.00 0.00 C ATOM 589 CD PRO A 42 -5.071 7.620 -10.001 1.00 0.00 C ATOM 0 HA PRO A 42 -7.177 7.341 -7.529 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.153 8.815 -9.673 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.858 9.442 -8.672 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.687 8.066 -11.347 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.820 9.479 -10.780 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.664 7.014 -10.810 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.246 8.205 -9.596 1.00 0.00 H new ATOM 597 N THR A 43 -9.044 5.971 -8.176 1.00 0.00 N ATOM 598 CA THR A 43 -10.148 5.078 -8.505 1.00 0.00 C ATOM 599 C THR A 43 -11.345 5.856 -9.038 1.00 0.00 C ATOM 600 O THR A 43 -11.492 7.048 -8.770 1.00 0.00 O ATOM 601 CB THR A 43 -10.588 4.255 -7.279 1.00 0.00 C ATOM 602 OG1 THR A 43 -11.323 5.084 -6.371 1.00 0.00 O ATOM 603 CG2 THR A 43 -9.384 3.657 -6.567 1.00 0.00 C ATOM 0 H THR A 43 -9.028 6.282 -7.205 1.00 0.00 H new ATOM 0 HA THR A 43 -9.787 4.400 -9.278 1.00 0.00 H new ATOM 0 HB THR A 43 -11.225 3.441 -7.625 1.00 0.00 H new ATOM 0 HG1 THR A 43 -10.733 5.780 -6.013 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.720 3.081 -5.705 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.844 3.004 -7.252 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.724 4.458 -6.233 1.00 0.00 H new ATOM 611 N ALA A 44 -12.200 5.174 -9.792 1.00 0.00 N ATOM 612 CA ALA A 44 -13.387 5.801 -10.360 1.00 0.00 C ATOM 613 C ALA A 44 -14.048 6.737 -9.354 1.00 0.00 C ATOM 614 O ALA A 44 -14.608 7.768 -9.726 1.00 0.00 O ATOM 615 CB ALA A 44 -14.374 4.740 -10.824 1.00 0.00 C ATOM 0 H ALA A 44 -12.093 4.187 -10.024 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.078 6.394 -11.220 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -15.256 5.223 -11.246 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.905 4.114 -11.583 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -14.670 4.122 -9.976 1.00 0.00 H new ATOM 621 N ASN A 45 -13.979 6.371 -8.078 1.00 0.00 N ATOM 622 CA ASN A 45 -14.572 7.178 -7.018 1.00 0.00 C ATOM 623 C ASN A 45 -13.548 8.147 -6.434 1.00 0.00 C ATOM 624 O ASN A 45 -12.402 8.196 -6.880 1.00 0.00 O ATOM 625 CB ASN A 45 -15.128 6.278 -5.913 1.00 0.00 C ATOM 626 CG ASN A 45 -16.382 5.542 -6.343 1.00 0.00 C ATOM 627 OD1 ASN A 45 -16.452 4.315 -6.269 1.00 0.00 O ATOM 628 ND2 ASN A 45 -17.382 6.291 -6.794 1.00 0.00 N ATOM 0 H ASN A 45 -13.518 5.521 -7.753 1.00 0.00 H new ATOM 0 HA ASN A 45 -15.388 7.757 -7.450 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -14.367 5.554 -5.621 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -15.348 6.882 -5.033 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -18.252 5.852 -7.096 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -17.280 7.305 -6.838 1.00 0.00 H new ATOM 635 N GLN A 46 -13.971 8.914 -5.435 1.00 0.00 N ATOM 636 CA GLN A 46 -13.090 9.881 -4.790 1.00 0.00 C ATOM 637 C GLN A 46 -12.111 9.184 -3.851 1.00 0.00 C ATOM 638 O GLN A 46 -11.447 9.829 -3.040 1.00 0.00 O ATOM 639 CB GLN A 46 -13.912 10.913 -4.016 1.00 0.00 C ATOM 640 CG GLN A 46 -13.206 12.249 -3.846 1.00 0.00 C ATOM 641 CD GLN A 46 -13.931 13.175 -2.890 1.00 0.00 C ATOM 642 OE1 GLN A 46 -14.614 12.725 -1.969 1.00 0.00 O ATOM 643 NE2 GLN A 46 -13.787 14.478 -3.102 1.00 0.00 N ATOM 0 H GLN A 46 -14.917 8.885 -5.055 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.519 10.390 -5.567 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -14.858 11.074 -4.534 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -14.152 10.510 -3.032 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -12.194 12.077 -3.481 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -13.116 12.734 -4.818 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -13.212 14.808 -3.877 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -14.252 15.149 -2.490 1.00 0.00 H new ATOM 652 N LYS A 47 -12.028 7.863 -3.965 1.00 0.00 N ATOM 653 CA LYS A 47 -11.130 7.077 -3.128 1.00 0.00 C ATOM 654 C LYS A 47 -9.749 6.964 -3.767 1.00 0.00 C ATOM 655 O LYS A 47 -9.518 7.474 -4.864 1.00 0.00 O ATOM 656 CB LYS A 47 -11.710 5.681 -2.892 1.00 0.00 C ATOM 657 CG LYS A 47 -13.032 5.690 -2.144 1.00 0.00 C ATOM 658 CD LYS A 47 -12.822 5.692 -0.640 1.00 0.00 C ATOM 659 CE LYS A 47 -12.739 7.108 -0.090 1.00 0.00 C ATOM 660 NZ LYS A 47 -13.014 7.153 1.373 1.00 0.00 N ATOM 0 H LYS A 47 -12.573 7.314 -4.630 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.027 7.588 -2.170 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.850 5.187 -3.854 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.989 5.087 -2.331 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.608 6.569 -2.433 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.618 4.816 -2.429 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.642 5.160 -0.157 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.906 5.153 -0.399 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.747 7.516 -0.286 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.454 7.743 -0.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.948 8.135 1.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -13.970 6.788 1.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.317 6.568 1.875 1.00 0.00 H new ATOM 674 N THR A 48 -8.835 6.292 -3.074 1.00 0.00 N ATOM 675 CA THR A 48 -7.478 6.112 -3.574 1.00 0.00 C ATOM 676 C THR A 48 -7.058 4.648 -3.510 1.00 0.00 C ATOM 677 O THR A 48 -7.183 4.002 -2.470 1.00 0.00 O ATOM 678 CB THR A 48 -6.468 6.959 -2.776 1.00 0.00 C ATOM 679 OG1 THR A 48 -6.931 8.310 -2.680 1.00 0.00 O ATOM 680 CG2 THR A 48 -5.098 6.932 -3.437 1.00 0.00 C ATOM 0 H THR A 48 -9.010 5.864 -2.165 1.00 0.00 H new ATOM 0 HA THR A 48 -7.478 6.442 -4.613 1.00 0.00 H new ATOM 0 HB THR A 48 -6.379 6.534 -1.776 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.361 8.891 -3.226 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.402 7.537 -2.856 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.736 5.905 -3.482 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.173 7.335 -4.447 1.00 0.00 H new ATOM 688 N GLN A 49 -6.561 4.130 -4.629 1.00 0.00 N ATOM 689 CA GLN A 49 -6.123 2.741 -4.699 1.00 0.00 C ATOM 690 C GLN A 49 -4.646 2.617 -4.338 1.00 0.00 C ATOM 691 O GLN A 49 -3.832 3.462 -4.712 1.00 0.00 O ATOM 692 CB GLN A 49 -6.367 2.177 -6.100 1.00 0.00 C ATOM 693 CG GLN A 49 -5.865 0.753 -6.278 1.00 0.00 C ATOM 694 CD GLN A 49 -5.904 0.298 -7.723 1.00 0.00 C ATOM 695 OE1 GLN A 49 -6.294 1.053 -8.614 1.00 0.00 O ATOM 696 NE2 GLN A 49 -5.500 -0.944 -7.964 1.00 0.00 N ATOM 0 H GLN A 49 -6.452 4.651 -5.499 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.704 2.166 -3.978 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.435 2.206 -6.313 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.878 2.820 -6.832 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.843 0.683 -5.906 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.471 0.079 -5.672 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.185 -1.536 -7.196 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.505 -1.306 -8.918 1.00 0.00 H new ATOM 705 N LEU A 50 -4.308 1.560 -3.608 1.00 0.00 N ATOM 706 CA LEU A 50 -2.928 1.325 -3.196 1.00 0.00 C ATOM 707 C LEU A 50 -2.375 0.058 -3.842 1.00 0.00 C ATOM 708 O LEU A 50 -2.792 -1.053 -3.511 1.00 0.00 O ATOM 709 CB LEU A 50 -2.843 1.214 -1.673 1.00 0.00 C ATOM 710 CG LEU A 50 -1.453 1.400 -1.064 1.00 0.00 C ATOM 711 CD1 LEU A 50 -0.446 0.481 -1.739 1.00 0.00 C ATOM 712 CD2 LEU A 50 -1.011 2.852 -1.176 1.00 0.00 C ATOM 0 H LEU A 50 -4.970 0.852 -3.289 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.326 2.171 -3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.511 1.956 -1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.219 0.234 -1.378 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.503 1.137 -0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.537 0.628 -1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.754 -0.556 -1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.399 0.712 -2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.020 2.965 -0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.979 3.143 -2.226 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.718 3.489 -0.645 1.00 0.00 H new ATOM 724 N LEU A 51 -1.434 0.232 -4.762 1.00 0.00 N ATOM 725 CA LEU A 51 -0.821 -0.897 -5.453 1.00 0.00 C ATOM 726 C LEU A 51 0.701 -0.802 -5.408 1.00 0.00 C ATOM 727 O LEU A 51 1.274 0.266 -5.620 1.00 0.00 O ATOM 728 CB LEU A 51 -1.297 -0.951 -6.906 1.00 0.00 C ATOM 729 CG LEU A 51 -0.788 -2.130 -7.736 1.00 0.00 C ATOM 730 CD1 LEU A 51 -1.496 -3.413 -7.328 1.00 0.00 C ATOM 731 CD2 LEU A 51 -0.982 -1.860 -9.221 1.00 0.00 C ATOM 0 H LEU A 51 -1.078 1.144 -5.047 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.125 -1.811 -4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.387 -0.974 -6.910 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.996 -0.028 -7.401 1.00 0.00 H new ATOM 0 HG LEU A 51 0.278 -2.251 -7.546 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.122 -4.242 -7.929 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.306 -3.614 -6.274 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.569 -3.304 -7.489 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.614 -2.710 -9.796 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.042 -1.713 -9.429 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.429 -0.964 -9.503 1.00 0.00 H new ATOM 743 N VAL A 52 1.351 -1.928 -5.131 1.00 0.00 N ATOM 744 CA VAL A 52 2.806 -1.974 -5.061 1.00 0.00 C ATOM 745 C VAL A 52 3.359 -3.144 -5.866 1.00 0.00 C ATOM 746 O VAL A 52 3.108 -4.306 -5.545 1.00 0.00 O ATOM 747 CB VAL A 52 3.295 -2.091 -3.605 1.00 0.00 C ATOM 748 CG1 VAL A 52 4.810 -2.218 -3.559 1.00 0.00 C ATOM 749 CG2 VAL A 52 2.827 -0.895 -2.789 1.00 0.00 C ATOM 0 H VAL A 52 0.892 -2.821 -4.951 1.00 0.00 H new ATOM 0 HA VAL A 52 3.172 -1.039 -5.486 1.00 0.00 H new ATOM 0 HB VAL A 52 2.866 -2.992 -3.167 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.137 -2.300 -2.522 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.117 -3.108 -4.108 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.263 -1.337 -4.014 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.181 -0.994 -1.763 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.226 0.021 -3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.738 -0.855 -2.795 1.00 0.00 H new ATOM 759 N ARG A 53 4.113 -2.830 -6.915 1.00 0.00 N ATOM 760 CA ARG A 53 4.701 -3.856 -7.768 1.00 0.00 C ATOM 761 C ARG A 53 6.041 -4.325 -7.208 1.00 0.00 C ATOM 762 O ARG A 53 6.803 -3.536 -6.651 1.00 0.00 O ATOM 763 CB ARG A 53 4.888 -3.322 -9.189 1.00 0.00 C ATOM 764 CG ARG A 53 3.585 -2.947 -9.875 1.00 0.00 C ATOM 765 CD ARG A 53 2.927 -4.156 -10.521 1.00 0.00 C ATOM 766 NE ARG A 53 3.428 -4.394 -11.872 1.00 0.00 N ATOM 767 CZ ARG A 53 2.662 -4.803 -12.878 1.00 0.00 C ATOM 768 NH1 ARG A 53 1.368 -5.016 -12.686 1.00 0.00 N ATOM 769 NH2 ARG A 53 3.191 -4.997 -14.079 1.00 0.00 N ATOM 0 H ARG A 53 4.331 -1.873 -7.194 1.00 0.00 H new ATOM 0 HA ARG A 53 4.020 -4.707 -7.794 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.537 -2.447 -9.157 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.400 -4.076 -9.787 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.904 -2.506 -9.148 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.777 -2.188 -10.633 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.107 -5.038 -9.907 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.848 -4.006 -10.555 1.00 0.00 H new ATOM 0 HE ARG A 53 4.420 -4.238 -12.053 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.958 -4.866 -11.764 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.782 -5.330 -13.460 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.186 -4.832 -14.231 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.603 -5.311 -14.851 1.00 0.00 H new ATOM 783 N ALA A 54 6.321 -5.615 -7.361 1.00 0.00 N ATOM 784 CA ALA A 54 7.569 -6.189 -6.873 1.00 0.00 C ATOM 785 C ALA A 54 8.668 -6.091 -7.926 1.00 0.00 C ATOM 786 O ALA A 54 8.391 -6.081 -9.126 1.00 0.00 O ATOM 787 CB ALA A 54 7.358 -7.639 -6.461 1.00 0.00 C ATOM 0 H ALA A 54 5.700 -6.282 -7.819 1.00 0.00 H new ATOM 0 HA ALA A 54 7.886 -5.617 -6.001 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.298 -8.055 -6.099 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.611 -7.687 -5.669 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.014 -8.215 -7.320 1.00 0.00 H new ATOM 793 N ASP A 55 9.913 -6.017 -7.470 1.00 0.00 N ATOM 794 CA ASP A 55 11.054 -5.920 -8.373 1.00 0.00 C ATOM 795 C ASP A 55 11.495 -7.303 -8.842 1.00 0.00 C ATOM 796 O ASP A 55 12.158 -8.037 -8.108 1.00 0.00 O ATOM 797 CB ASP A 55 12.218 -5.205 -7.684 1.00 0.00 C ATOM 798 CG ASP A 55 12.050 -3.699 -7.677 1.00 0.00 C ATOM 799 OD1 ASP A 55 11.290 -3.182 -8.523 1.00 0.00 O ATOM 800 OD2 ASP A 55 12.676 -3.036 -6.824 1.00 0.00 O ATOM 0 H ASP A 55 10.158 -6.022 -6.480 1.00 0.00 H new ATOM 0 HA ASP A 55 10.748 -5.341 -9.245 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.304 -5.563 -6.658 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.149 -5.461 -8.190 1.00 0.00 H new ATOM 859 N ASN A 60 5.471 -9.077 -10.150 1.00 0.00 N ATOM 860 CA ASN A 60 4.323 -9.626 -9.437 1.00 0.00 C ATOM 861 C ASN A 60 3.724 -8.590 -8.490 1.00 0.00 C ATOM 862 O ASN A 60 4.339 -7.559 -8.214 1.00 0.00 O ATOM 863 CB ASN A 60 4.732 -10.874 -8.652 1.00 0.00 C ATOM 864 CG ASN A 60 5.925 -10.624 -7.750 1.00 0.00 C ATOM 865 OD1 ASN A 60 7.011 -10.283 -8.218 1.00 0.00 O ATOM 866 ND2 ASN A 60 5.726 -10.792 -6.447 1.00 0.00 N ATOM 0 HA ASN A 60 3.567 -9.900 -10.173 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.889 -11.213 -8.050 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.969 -11.677 -9.350 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.491 -10.637 -5.790 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.808 -11.076 -6.104 1.00 0.00 H new ATOM 873 N ILE A 61 2.523 -8.871 -7.997 1.00 0.00 N ATOM 874 CA ILE A 61 1.843 -7.965 -7.080 1.00 0.00 C ATOM 875 C ILE A 61 2.182 -8.293 -5.630 1.00 0.00 C ATOM 876 O ILE A 61 1.994 -9.423 -5.178 1.00 0.00 O ATOM 877 CB ILE A 61 0.315 -8.021 -7.264 1.00 0.00 C ATOM 878 CG1 ILE A 61 -0.067 -7.587 -8.680 1.00 0.00 C ATOM 879 CG2 ILE A 61 -0.375 -7.143 -6.231 1.00 0.00 C ATOM 880 CD1 ILE A 61 -1.468 -7.994 -9.080 1.00 0.00 C ATOM 0 H ILE A 61 2.001 -9.719 -8.217 1.00 0.00 H new ATOM 0 HA ILE A 61 2.192 -6.959 -7.313 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.016 -9.049 -7.118 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.023 -6.503 -8.756 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.643 -8.016 -9.387 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.454 -7.193 -6.374 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.125 -7.494 -5.230 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.041 -6.112 -6.348 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.670 -7.653 -10.095 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.558 -9.079 -9.037 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.187 -7.543 -8.396 1.00 0.00 H new ATOM 892 N LEU A 62 2.681 -7.298 -4.906 1.00 0.00 N ATOM 893 CA LEU A 62 3.045 -7.479 -3.505 1.00 0.00 C ATOM 894 C LEU A 62 1.847 -7.228 -2.594 1.00 0.00 C ATOM 895 O LEU A 62 1.515 -8.056 -1.745 1.00 0.00 O ATOM 896 CB LEU A 62 4.191 -6.539 -3.129 1.00 0.00 C ATOM 897 CG LEU A 62 5.578 -6.934 -3.639 1.00 0.00 C ATOM 898 CD1 LEU A 62 6.604 -5.874 -3.269 1.00 0.00 C ATOM 899 CD2 LEU A 62 5.984 -8.290 -3.081 1.00 0.00 C ATOM 0 H LEU A 62 2.843 -6.357 -5.266 1.00 0.00 H new ATOM 0 HA LEU A 62 3.371 -8.511 -3.371 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.957 -5.544 -3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.233 -6.466 -2.042 1.00 0.00 H new ATOM 0 HG LEU A 62 5.538 -7.008 -4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.585 -6.172 -3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.321 -4.921 -3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.643 -5.768 -2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.973 -8.556 -3.454 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.007 -8.243 -1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.263 -9.044 -3.396 1.00 0.00 H new ATOM 911 N LEU A 63 1.201 -6.082 -2.778 1.00 0.00 N ATOM 912 CA LEU A 63 0.038 -5.722 -1.974 1.00 0.00 C ATOM 913 C LEU A 63 -0.915 -4.831 -2.764 1.00 0.00 C ATOM 914 O LEU A 63 -0.520 -3.786 -3.279 1.00 0.00 O ATOM 915 CB LEU A 63 0.478 -5.010 -0.694 1.00 0.00 C ATOM 916 CG LEU A 63 -0.609 -4.235 0.051 1.00 0.00 C ATOM 917 CD1 LEU A 63 -1.497 -5.185 0.839 1.00 0.00 C ATOM 918 CD2 LEU A 63 0.012 -3.195 0.971 1.00 0.00 C ATOM 0 H LEU A 63 1.463 -5.386 -3.477 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.488 -6.639 -1.709 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.897 -5.753 -0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.282 -4.318 -0.945 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.227 -3.718 -0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.265 -4.615 1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.971 -5.891 0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.893 -5.731 1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.777 -2.653 1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.655 -3.690 1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.604 -2.495 0.382 1.00 0.00 H new ATOM 930 N ASN A 64 -2.173 -5.250 -2.853 1.00 0.00 N ATOM 931 CA ASN A 64 -3.183 -4.489 -3.578 1.00 0.00 C ATOM 932 C ASN A 64 -4.435 -4.296 -2.727 1.00 0.00 C ATOM 933 O ASN A 64 -5.203 -5.234 -2.512 1.00 0.00 O ATOM 934 CB ASN A 64 -3.546 -5.198 -4.885 1.00 0.00 C ATOM 935 CG ASN A 64 -4.296 -4.295 -5.844 1.00 0.00 C ATOM 936 OD1 ASN A 64 -4.770 -3.224 -5.464 1.00 0.00 O ATOM 937 ND2 ASN A 64 -4.408 -4.724 -7.096 1.00 0.00 N ATOM 0 H ASN A 64 -2.517 -6.113 -2.432 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.767 -3.508 -3.808 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.636 -5.557 -5.365 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.156 -6.074 -4.663 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.903 -4.159 -7.786 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.999 -5.618 -7.367 1.00 0.00 H new ATOM 944 N VAL A 65 -4.634 -3.073 -2.246 1.00 0.00 N ATOM 945 CA VAL A 65 -5.792 -2.756 -1.419 1.00 0.00 C ATOM 946 C VAL A 65 -6.204 -1.298 -1.586 1.00 0.00 C ATOM 947 O VAL A 65 -5.448 -0.485 -2.120 1.00 0.00 O ATOM 948 CB VAL A 65 -5.512 -3.032 0.070 1.00 0.00 C ATOM 949 CG1 VAL A 65 -5.212 -4.506 0.293 1.00 0.00 C ATOM 950 CG2 VAL A 65 -4.364 -2.165 0.565 1.00 0.00 C ATOM 0 H VAL A 65 -4.008 -2.285 -2.415 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.605 -3.401 -1.753 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.404 -2.777 0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.017 -4.682 1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.068 -5.103 -0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.336 -4.791 -0.290 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.179 -2.373 1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.466 -2.387 -0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.623 -1.113 0.442 1.00 0.00 H new ATOM 960 N LEU A 66 -7.407 -0.972 -1.127 1.00 0.00 N ATOM 961 CA LEU A 66 -7.921 0.390 -1.225 1.00 0.00 C ATOM 962 C LEU A 66 -7.680 1.157 0.072 1.00 0.00 C ATOM 963 O LEU A 66 -7.836 0.611 1.165 1.00 0.00 O ATOM 964 CB LEU A 66 -9.415 0.370 -1.550 1.00 0.00 C ATOM 965 CG LEU A 66 -10.141 1.712 -1.449 1.00 0.00 C ATOM 966 CD1 LEU A 66 -9.682 2.652 -2.553 1.00 0.00 C ATOM 967 CD2 LEU A 66 -11.648 1.509 -1.512 1.00 0.00 C ATOM 0 H LEU A 66 -8.045 -1.632 -0.683 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.388 0.897 -2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.541 -0.014 -2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.903 -0.336 -0.878 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.895 2.165 -0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.210 3.602 -2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.609 2.823 -2.463 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.898 2.206 -3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -12.149 2.474 -1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.912 1.034 -2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.964 0.873 -0.685 1.00 0.00 H new ATOM 979 N ILE A 67 -7.303 2.424 -0.058 1.00 0.00 N ATOM 980 CA ILE A 67 -7.045 3.266 1.104 1.00 0.00 C ATOM 981 C ILE A 67 -8.345 3.663 1.795 1.00 0.00 C ATOM 982 O ILE A 67 -9.206 4.328 1.219 1.00 0.00 O ATOM 983 CB ILE A 67 -6.274 4.541 0.714 1.00 0.00 C ATOM 984 CG1 ILE A 67 -4.928 4.178 0.084 1.00 0.00 C ATOM 985 CG2 ILE A 67 -6.072 5.431 1.932 1.00 0.00 C ATOM 986 CD1 ILE A 67 -4.346 5.278 -0.774 1.00 0.00 C ATOM 0 H ILE A 67 -7.169 2.890 -0.955 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.436 2.678 1.791 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.861 5.091 -0.021 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.220 3.933 0.876 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.050 3.281 -0.523 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.526 6.328 1.641 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -7.042 5.714 2.341 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.503 4.890 2.688 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.392 4.951 -1.188 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.034 5.508 -1.587 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.191 6.170 -0.167 1.00 0.00 H new ATOM 998 N PRO A 68 -8.492 3.247 3.062 1.00 0.00 N ATOM 999 CA PRO A 68 -9.684 3.549 3.860 1.00 0.00 C ATOM 1000 C PRO A 68 -9.774 5.025 4.231 1.00 0.00 C ATOM 1001 O PRO A 68 -8.836 5.798 4.034 1.00 0.00 O ATOM 1002 CB PRO A 68 -9.496 2.693 5.116 1.00 0.00 C ATOM 1003 CG PRO A 68 -8.023 2.497 5.223 1.00 0.00 C ATOM 1004 CD PRO A 68 -7.507 2.450 3.812 1.00 0.00 C ATOM 0 HA PRO A 68 -10.604 3.336 3.315 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -9.894 3.193 5.999 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.017 1.740 5.027 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -7.561 3.312 5.780 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.790 1.574 5.755 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.506 2.874 3.736 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.450 1.427 3.439 1.00 0.00 H new ATOM 1012 N PRO A 69 -10.929 5.428 4.782 1.00 0.00 N ATOM 1013 CA PRO A 69 -11.168 6.815 5.193 1.00 0.00 C ATOM 1014 C PRO A 69 -10.337 7.211 6.408 1.00 0.00 C ATOM 1015 O PRO A 69 -9.858 8.340 6.502 1.00 0.00 O ATOM 1016 CB PRO A 69 -12.660 6.830 5.537 1.00 0.00 C ATOM 1017 CG PRO A 69 -12.979 5.421 5.901 1.00 0.00 C ATOM 1018 CD PRO A 69 -12.089 4.561 5.046 1.00 0.00 C ATOM 0 HA PRO A 69 -10.889 7.525 4.415 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -12.869 7.509 6.363 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -13.258 7.165 4.690 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -12.796 5.240 6.960 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -14.030 5.199 5.717 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.798 3.646 5.562 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -12.586 4.262 4.123 1.00 0.00 H new ATOM 1026 N ASN A 70 -10.170 6.275 7.336 1.00 0.00 N ATOM 1027 CA ASN A 70 -9.396 6.527 8.546 1.00 0.00 C ATOM 1028 C ASN A 70 -8.357 5.432 8.765 1.00 0.00 C ATOM 1029 O ASN A 70 -8.701 4.275 9.004 1.00 0.00 O ATOM 1030 CB ASN A 70 -10.324 6.616 9.760 1.00 0.00 C ATOM 1031 CG ASN A 70 -9.650 7.262 10.956 1.00 0.00 C ATOM 1032 OD1 ASN A 70 -8.782 8.121 10.804 1.00 0.00 O ATOM 1033 ND2 ASN A 70 -10.050 6.850 12.153 1.00 0.00 N ATOM 0 H ASN A 70 -10.560 5.335 7.273 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.876 7.477 8.424 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.212 7.189 9.494 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.659 5.615 10.032 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.634 7.249 12.995 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -10.773 6.135 12.231 1.00 0.00 H new ATOM 1040 N MET A 71 -7.084 5.807 8.683 1.00 0.00 N ATOM 1041 CA MET A 71 -5.995 4.857 8.874 1.00 0.00 C ATOM 1042 C MET A 71 -4.936 5.426 9.813 1.00 0.00 C ATOM 1043 O MET A 71 -4.509 6.574 9.683 1.00 0.00 O ATOM 1044 CB MET A 71 -5.360 4.498 7.529 1.00 0.00 C ATOM 1045 CG MET A 71 -4.138 3.603 7.652 1.00 0.00 C ATOM 1046 SD MET A 71 -2.951 3.860 6.320 1.00 0.00 S ATOM 1047 CE MET A 71 -2.439 5.546 6.642 1.00 0.00 C ATOM 0 H MET A 71 -6.782 6.761 8.486 1.00 0.00 H new ATOM 0 HA MET A 71 -6.409 3.955 9.325 1.00 0.00 H new ATOM 0 HB2 MET A 71 -6.104 4.000 6.907 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.077 5.416 7.014 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.650 3.790 8.609 1.00 0.00 H new ATOM 0 HG3 MET A 71 -4.455 2.560 7.654 1.00 0.00 H new ATOM 0 HE1 MET A 71 -1.410 5.684 6.310 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.090 6.233 6.101 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.505 5.749 7.711 1.00 0.00 H new ATOM 1057 N PRO A 72 -4.500 4.607 10.782 1.00 0.00 N ATOM 1058 CA PRO A 72 -3.486 5.008 11.761 1.00 0.00 C ATOM 1059 C PRO A 72 -2.104 5.161 11.134 1.00 0.00 C ATOM 1060 O PRO A 72 -1.623 4.263 10.442 1.00 0.00 O ATOM 1061 CB PRO A 72 -3.491 3.856 12.769 1.00 0.00 C ATOM 1062 CG PRO A 72 -3.986 2.681 11.999 1.00 0.00 C ATOM 1063 CD PRO A 72 -4.965 3.226 10.996 1.00 0.00 C ATOM 0 HA PRO A 72 -3.707 5.980 12.202 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.493 3.675 13.169 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.139 4.075 13.617 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.164 2.166 11.502 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.465 1.956 12.658 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.955 2.650 10.070 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.986 3.200 11.376 1.00 0.00 H new ATOM 1071 N CYS A 73 -1.470 6.302 11.381 1.00 0.00 N ATOM 1072 CA CYS A 73 -0.143 6.572 10.840 1.00 0.00 C ATOM 1073 C CYS A 73 0.793 7.089 11.929 1.00 0.00 C ATOM 1074 O CYS A 73 0.405 7.914 12.756 1.00 0.00 O ATOM 1075 CB CYS A 73 -0.231 7.589 9.701 1.00 0.00 C ATOM 1076 SG CYS A 73 1.067 7.415 8.455 1.00 0.00 S ATOM 0 H CYS A 73 -1.854 7.055 11.952 1.00 0.00 H new ATOM 0 HA CYS A 73 0.262 5.637 10.452 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -1.202 7.491 9.215 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -0.184 8.594 10.121 1.00 0.00 H new ATOM 0 HG CYS A 73 0.907 8.317 7.533 1.00 0.00 H new ATOM 1082 N THR A 74 2.028 6.596 11.923 1.00 0.00 N ATOM 1083 CA THR A 74 3.018 7.005 12.911 1.00 0.00 C ATOM 1084 C THR A 74 4.412 7.071 12.297 1.00 0.00 C ATOM 1085 O THR A 74 4.796 6.204 11.512 1.00 0.00 O ATOM 1086 CB THR A 74 3.043 6.042 14.113 1.00 0.00 C ATOM 1087 OG1 THR A 74 2.629 4.735 13.702 1.00 0.00 O ATOM 1088 CG2 THR A 74 2.134 6.542 15.225 1.00 0.00 C ATOM 0 H THR A 74 2.366 5.913 11.245 1.00 0.00 H new ATOM 0 HA THR A 74 2.729 7.998 13.257 1.00 0.00 H new ATOM 0 HB THR A 74 4.064 5.996 14.493 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.649 4.128 14.471 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.168 5.846 16.063 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.470 7.525 15.556 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.112 6.614 14.854 1.00 0.00 H new ATOM 1096 N ARG A 75 5.166 8.103 12.661 1.00 0.00 N ATOM 1097 CA ARG A 75 6.518 8.281 12.145 1.00 0.00 C ATOM 1098 C ARG A 75 7.554 7.828 13.169 1.00 0.00 C ATOM 1099 O ARG A 75 7.437 8.121 14.359 1.00 0.00 O ATOM 1100 CB ARG A 75 6.756 9.746 11.775 1.00 0.00 C ATOM 1101 CG ARG A 75 7.955 9.958 10.865 1.00 0.00 C ATOM 1102 CD ARG A 75 7.594 9.731 9.406 1.00 0.00 C ATOM 1103 NE ARG A 75 8.396 10.558 8.508 1.00 0.00 N ATOM 1104 CZ ARG A 75 9.708 10.420 8.358 1.00 0.00 C ATOM 1105 NH1 ARG A 75 10.363 9.491 9.041 1.00 0.00 N ATOM 1106 NH2 ARG A 75 10.369 11.211 7.522 1.00 0.00 N ATOM 0 H ARG A 75 4.864 8.828 13.311 1.00 0.00 H new ATOM 0 HA ARG A 75 6.624 7.666 11.251 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.865 10.137 11.284 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.897 10.324 12.688 1.00 0.00 H new ATOM 0 HG2 ARG A 75 8.336 10.971 10.993 1.00 0.00 H new ATOM 0 HG3 ARG A 75 8.756 9.277 11.153 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.738 8.680 9.156 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.537 9.952 9.255 1.00 0.00 H new ATOM 0 HE ARG A 75 7.922 11.281 7.967 1.00 0.00 H new ATOM 0 HH11 ARG A 75 9.859 8.880 9.684 1.00 0.00 H new ATOM 0 HH12 ARG A 75 11.371 9.387 8.924 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.869 11.926 6.994 1.00 0.00 H new ATOM 0 HH22 ARG A 75 11.377 11.104 7.408 1.00 0.00 H new ATOM 1120 N THR A 76 8.570 7.112 12.698 1.00 0.00 N ATOM 1121 CA THR A 76 9.626 6.617 13.571 1.00 0.00 C ATOM 1122 C THR A 76 10.949 6.498 12.823 1.00 0.00 C ATOM 1123 O THR A 76 10.988 6.578 11.596 1.00 0.00 O ATOM 1124 CB THR A 76 9.263 5.245 14.170 1.00 0.00 C ATOM 1125 OG1 THR A 76 10.353 4.749 14.955 1.00 0.00 O ATOM 1126 CG2 THR A 76 8.928 4.247 13.071 1.00 0.00 C ATOM 0 H THR A 76 8.684 6.862 11.716 1.00 0.00 H new ATOM 0 HA THR A 76 9.733 7.341 14.378 1.00 0.00 H new ATOM 0 HB THR A 76 8.386 5.371 14.805 1.00 0.00 H new ATOM 0 HG1 THR A 76 10.113 3.877 15.334 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.675 3.285 13.518 1.00 0.00 H new ATOM 0 HG22 THR A 76 8.080 4.613 12.493 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.789 4.126 12.414 1.00 0.00 H new ATOM 1134 N GLY A 77 12.032 6.306 13.570 1.00 0.00 N ATOM 1135 CA GLY A 77 13.342 6.179 12.959 1.00 0.00 C ATOM 1136 C GLY A 77 13.640 7.304 11.987 1.00 0.00 C ATOM 1137 O GLY A 77 12.807 8.184 11.770 1.00 0.00 O ATOM 0 H GLY A 77 12.025 6.236 14.588 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.103 6.165 13.739 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.405 5.225 12.436 1.00 0.00 H new ATOM 1141 N LYS A 78 14.832 7.277 11.401 1.00 0.00 N ATOM 1142 CA LYS A 78 15.240 8.302 10.448 1.00 0.00 C ATOM 1143 C LYS A 78 14.227 8.424 9.314 1.00 0.00 C ATOM 1144 O LYS A 78 13.800 9.524 8.967 1.00 0.00 O ATOM 1145 CB LYS A 78 16.622 7.976 9.878 1.00 0.00 C ATOM 1146 CG LYS A 78 17.158 9.040 8.935 1.00 0.00 C ATOM 1147 CD LYS A 78 18.671 8.969 8.816 1.00 0.00 C ATOM 1148 CE LYS A 78 19.355 9.560 10.039 1.00 0.00 C ATOM 1149 NZ LYS A 78 19.250 11.045 10.070 1.00 0.00 N ATOM 0 H LYS A 78 15.533 6.556 11.570 1.00 0.00 H new ATOM 0 HA LYS A 78 15.286 9.255 10.975 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.324 7.846 10.702 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.572 7.025 9.348 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.708 8.914 7.950 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.866 10.027 9.295 1.00 0.00 H new ATOM 0 HD2 LYS A 78 18.979 7.931 8.692 1.00 0.00 H new ATOM 0 HD3 LYS A 78 18.992 9.506 7.923 1.00 0.00 H new ATOM 0 HE2 LYS A 78 18.906 9.145 10.942 1.00 0.00 H new ATOM 0 HE3 LYS A 78 20.406 9.270 10.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 19.904 11.424 10.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 19.496 11.430 9.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.276 11.319 10.312 1.00 0.00 H new ATOM 1163 N ASN A 79 13.846 7.287 8.742 1.00 0.00 N ATOM 1164 CA ASN A 79 12.881 7.267 7.648 1.00 0.00 C ATOM 1165 C ASN A 79 12.036 5.997 7.691 1.00 0.00 C ATOM 1166 O ASN A 79 12.487 4.926 7.286 1.00 0.00 O ATOM 1167 CB ASN A 79 13.603 7.368 6.303 1.00 0.00 C ATOM 1168 CG ASN A 79 14.987 6.750 6.342 1.00 0.00 C ATOM 1169 OD1 ASN A 79 15.996 7.456 6.315 1.00 0.00 O ATOM 1170 ND2 ASN A 79 15.042 5.425 6.405 1.00 0.00 N ATOM 0 H ASN A 79 14.190 6.367 9.017 1.00 0.00 H new ATOM 0 HA ASN A 79 12.220 8.126 7.763 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.008 6.872 5.536 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.684 8.416 6.015 1.00 0.00 H new ATOM 0 HD21 ASN A 79 15.946 4.953 6.433 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.181 4.879 6.425 1.00 0.00 H new ATOM 1177 N ASN A 80 10.809 6.127 8.183 1.00 0.00 N ATOM 1178 CA ASN A 80 9.900 4.990 8.278 1.00 0.00 C ATOM 1179 C ASN A 80 8.447 5.443 8.166 1.00 0.00 C ATOM 1180 O ASN A 80 8.146 6.631 8.284 1.00 0.00 O ATOM 1181 CB ASN A 80 10.114 4.248 9.599 1.00 0.00 C ATOM 1182 CG ASN A 80 11.407 3.455 9.614 1.00 0.00 C ATOM 1183 OD1 ASN A 80 11.401 2.234 9.460 1.00 0.00 O ATOM 1184 ND2 ASN A 80 12.524 4.149 9.800 1.00 0.00 N ATOM 0 H ASN A 80 10.421 7.007 8.522 1.00 0.00 H new ATOM 0 HA ASN A 80 10.116 4.315 7.450 1.00 0.00 H new ATOM 0 HB2 ASN A 80 10.122 4.966 10.419 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.275 3.574 9.774 1.00 0.00 H new ATOM 0 HD21 ASN A 80 13.425 3.670 9.819 1.00 0.00 H new ATOM 0 HD22 ASN A 80 12.481 5.161 9.923 1.00 0.00 H new ATOM 1191 N VAL A 81 7.551 4.489 7.939 1.00 0.00 N ATOM 1192 CA VAL A 81 6.130 4.789 7.813 1.00 0.00 C ATOM 1193 C VAL A 81 5.276 3.632 8.320 1.00 0.00 C ATOM 1194 O VAL A 81 5.101 2.627 7.630 1.00 0.00 O ATOM 1195 CB VAL A 81 5.747 5.093 6.352 1.00 0.00 C ATOM 1196 CG1 VAL A 81 4.250 5.330 6.231 1.00 0.00 C ATOM 1197 CG2 VAL A 81 6.529 6.292 5.836 1.00 0.00 C ATOM 0 H VAL A 81 7.784 3.501 7.838 1.00 0.00 H new ATOM 0 HA VAL A 81 5.939 5.672 8.422 1.00 0.00 H new ATOM 0 HB VAL A 81 6.004 4.229 5.739 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.998 5.543 5.192 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.713 4.440 6.559 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.964 6.177 6.855 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.247 6.493 4.803 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.305 7.164 6.450 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.597 6.079 5.885 1.00 0.00 H new ATOM 1207 N LEU A 82 4.747 3.780 9.529 1.00 0.00 N ATOM 1208 CA LEU A 82 3.910 2.747 10.130 1.00 0.00 C ATOM 1209 C LEU A 82 2.439 2.978 9.801 1.00 0.00 C ATOM 1210 O LEU A 82 1.918 4.080 9.981 1.00 0.00 O ATOM 1211 CB LEU A 82 4.107 2.721 11.647 1.00 0.00 C ATOM 1212 CG LEU A 82 4.048 1.344 12.308 1.00 0.00 C ATOM 1213 CD1 LEU A 82 4.235 1.466 13.812 1.00 0.00 C ATOM 1214 CD2 LEU A 82 2.729 0.655 11.987 1.00 0.00 C ATOM 0 H LEU A 82 4.883 4.605 10.113 1.00 0.00 H new ATOM 0 HA LEU A 82 4.209 1.785 9.714 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.073 3.170 11.875 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.345 3.354 12.103 1.00 0.00 H new ATOM 0 HG LEU A 82 4.860 0.735 11.910 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.190 0.476 14.266 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.204 1.918 14.023 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.445 2.092 14.227 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.704 -0.324 12.466 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.902 1.261 12.357 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.635 0.534 10.908 1.00 0.00 H new ATOM 1226 N ILE A 83 1.774 1.933 9.320 1.00 0.00 N ATOM 1227 CA ILE A 83 0.362 2.022 8.969 1.00 0.00 C ATOM 1228 C ILE A 83 -0.330 0.672 9.127 1.00 0.00 C ATOM 1229 O ILE A 83 0.266 -0.376 8.876 1.00 0.00 O ATOM 1230 CB ILE A 83 0.171 2.518 7.523 1.00 0.00 C ATOM 1231 CG1 ILE A 83 0.822 1.546 6.537 1.00 0.00 C ATOM 1232 CG2 ILE A 83 0.754 3.914 7.361 1.00 0.00 C ATOM 1233 CD1 ILE A 83 0.328 1.705 5.116 1.00 0.00 C ATOM 0 H ILE A 83 2.190 1.015 9.164 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.088 2.741 9.653 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.897 2.564 7.308 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.902 1.691 6.556 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.632 0.525 6.867 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.612 4.251 6.334 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.250 4.600 8.041 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.819 3.892 7.591 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.832 0.984 4.473 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.747 1.531 5.083 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.543 2.715 4.767 1.00 0.00 H new ATOM 1245 N VAL A 84 -1.591 0.705 9.543 1.00 0.00 N ATOM 1246 CA VAL A 84 -2.366 -0.515 9.732 1.00 0.00 C ATOM 1247 C VAL A 84 -3.388 -0.696 8.615 1.00 0.00 C ATOM 1248 O VAL A 84 -4.240 0.166 8.394 1.00 0.00 O ATOM 1249 CB VAL A 84 -3.099 -0.511 11.087 1.00 0.00 C ATOM 1250 CG1 VAL A 84 -3.924 -1.778 11.252 1.00 0.00 C ATOM 1251 CG2 VAL A 84 -2.105 -0.359 12.229 1.00 0.00 C ATOM 0 H VAL A 84 -2.098 1.564 9.756 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.659 -1.344 9.712 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.778 0.341 11.111 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.434 -1.757 12.215 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.661 -1.839 10.452 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.268 -2.648 11.208 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.640 -0.358 13.179 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.400 -1.190 12.210 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.563 0.580 12.117 1.00 0.00 H new ATOM 1261 N CYS A 85 -3.298 -1.821 7.915 1.00 0.00 N ATOM 1262 CA CYS A 85 -4.215 -2.115 6.819 1.00 0.00 C ATOM 1263 C CYS A 85 -4.320 -3.619 6.587 1.00 0.00 C ATOM 1264 O CYS A 85 -3.463 -4.386 7.025 1.00 0.00 O ATOM 1265 CB CYS A 85 -3.751 -1.420 5.538 1.00 0.00 C ATOM 1266 SG CYS A 85 -2.199 -2.063 4.869 1.00 0.00 S ATOM 0 H CYS A 85 -2.600 -2.545 8.086 1.00 0.00 H new ATOM 0 HA CYS A 85 -5.201 -1.738 7.091 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -4.529 -1.520 4.781 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -3.635 -0.355 5.737 1.00 0.00 H new ATOM 0 HG CYS A 85 -1.664 -2.883 5.724 1.00 0.00 H new ATOM 1272 N VAL A 86 -5.377 -4.033 5.896 1.00 0.00 N ATOM 1273 CA VAL A 86 -5.595 -5.445 5.606 1.00 0.00 C ATOM 1274 C VAL A 86 -4.683 -5.922 4.481 1.00 0.00 C ATOM 1275 O VAL A 86 -4.786 -5.482 3.336 1.00 0.00 O ATOM 1276 CB VAL A 86 -7.059 -5.719 5.216 1.00 0.00 C ATOM 1277 CG1 VAL A 86 -7.250 -7.182 4.847 1.00 0.00 C ATOM 1278 CG2 VAL A 86 -7.995 -5.319 6.347 1.00 0.00 C ATOM 0 H VAL A 86 -6.096 -3.411 5.527 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.361 -5.995 6.518 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.303 -5.115 4.342 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.291 -7.356 4.574 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.607 -7.431 4.003 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.989 -7.809 5.699 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -9.026 -5.519 6.054 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.753 -5.895 7.240 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.878 -4.256 6.558 1.00 0.00 H new ATOM 1288 N PRO A 87 -3.768 -6.845 4.811 1.00 0.00 N ATOM 1289 CA PRO A 87 -2.821 -7.404 3.842 1.00 0.00 C ATOM 1290 C PRO A 87 -3.502 -8.305 2.818 1.00 0.00 C ATOM 1291 O PRO A 87 -4.141 -9.294 3.175 1.00 0.00 O ATOM 1292 CB PRO A 87 -1.860 -8.216 4.713 1.00 0.00 C ATOM 1293 CG PRO A 87 -2.652 -8.569 5.924 1.00 0.00 C ATOM 1294 CD PRO A 87 -3.589 -7.416 6.157 1.00 0.00 C ATOM 0 HA PRO A 87 -2.333 -6.626 3.255 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.513 -9.109 4.193 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.975 -7.635 4.974 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.205 -9.496 5.772 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -2.001 -8.723 6.785 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.536 -7.748 6.582 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.166 -6.688 6.849 1.00 0.00 H new ATOM 1302 N ASN A 88 -3.362 -7.956 1.543 1.00 0.00 N ATOM 1303 CA ASN A 88 -3.965 -8.733 0.467 1.00 0.00 C ATOM 1304 C ASN A 88 -2.912 -9.161 -0.551 1.00 0.00 C ATOM 1305 O ASN A 88 -2.263 -8.336 -1.194 1.00 0.00 O ATOM 1306 CB ASN A 88 -5.060 -7.920 -0.226 1.00 0.00 C ATOM 1307 CG ASN A 88 -6.290 -7.747 0.644 1.00 0.00 C ATOM 1308 OD1 ASN A 88 -6.309 -8.165 1.802 1.00 0.00 O ATOM 1309 ND2 ASN A 88 -7.325 -7.127 0.089 1.00 0.00 N ATOM 0 H ASN A 88 -2.836 -7.140 1.230 1.00 0.00 H new ATOM 0 HA ASN A 88 -4.408 -9.628 0.903 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.666 -6.939 -0.493 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.342 -8.414 -1.156 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.180 -6.981 0.626 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.265 -6.797 -0.874 1.00 0.00 H new ATOM 1316 N PRO A 89 -2.738 -10.482 -0.703 1.00 0.00 N ATOM 1317 CA PRO A 89 -3.504 -11.474 0.058 1.00 0.00 C ATOM 1318 C PRO A 89 -3.123 -11.494 1.534 1.00 0.00 C ATOM 1319 O PRO A 89 -2.104 -10.938 1.944 1.00 0.00 O ATOM 1320 CB PRO A 89 -3.129 -12.800 -0.610 1.00 0.00 C ATOM 1321 CG PRO A 89 -1.788 -12.555 -1.211 1.00 0.00 C ATOM 1322 CD PRO A 89 -1.779 -11.110 -1.627 1.00 0.00 C ATOM 0 HA PRO A 89 -4.573 -11.261 0.044 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -3.095 -13.613 0.115 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -3.858 -13.081 -1.370 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.995 -12.759 -0.492 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.618 -13.209 -2.067 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.785 -10.671 -1.534 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.085 -10.989 -2.666 1.00 0.00 H new ATOM 1330 N PRO A 90 -3.959 -12.150 2.353 1.00 0.00 N ATOM 1331 CA PRO A 90 -3.729 -12.258 3.797 1.00 0.00 C ATOM 1332 C PRO A 90 -2.542 -13.157 4.129 1.00 0.00 C ATOM 1333 O PRO A 90 -2.562 -14.355 3.847 1.00 0.00 O ATOM 1334 CB PRO A 90 -5.029 -12.876 4.317 1.00 0.00 C ATOM 1335 CG PRO A 90 -5.588 -13.619 3.153 1.00 0.00 C ATOM 1336 CD PRO A 90 -5.192 -12.835 1.933 1.00 0.00 C ATOM 0 HA PRO A 90 -3.490 -11.294 4.245 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.841 -13.542 5.159 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -5.720 -12.109 4.666 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.192 -14.633 3.111 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.672 -13.703 3.228 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.018 -13.486 1.076 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.967 -12.126 1.642 1.00 0.00 H new ATOM 1344 N ILE A 91 -1.512 -12.571 4.729 1.00 0.00 N ATOM 1345 CA ILE A 91 -0.318 -13.319 5.100 1.00 0.00 C ATOM 1346 C ILE A 91 -0.664 -14.484 6.022 1.00 0.00 C ATOM 1347 O ILE A 91 -0.169 -15.597 5.846 1.00 0.00 O ATOM 1348 CB ILE A 91 0.718 -12.417 5.797 1.00 0.00 C ATOM 1349 CG1 ILE A 91 1.108 -11.252 4.885 1.00 0.00 C ATOM 1350 CG2 ILE A 91 1.947 -13.226 6.187 1.00 0.00 C ATOM 1351 CD1 ILE A 91 1.570 -10.024 5.637 1.00 0.00 C ATOM 0 H ILE A 91 -1.480 -11.580 4.969 1.00 0.00 H new ATOM 0 HA ILE A 91 0.112 -13.705 4.176 1.00 0.00 H new ATOM 0 HB ILE A 91 0.272 -12.010 6.704 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.903 -11.577 4.214 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.253 -10.987 4.263 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.670 -12.575 6.678 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.655 -14.025 6.869 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.397 -13.658 5.293 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.830 -9.239 4.927 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.769 -9.674 6.288 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.444 -10.273 6.239 1.00 0.00 H new ATOM 1363 N ASP A 92 -1.517 -14.219 7.005 1.00 0.00 N ATOM 1364 CA ASP A 92 -1.932 -15.245 7.954 1.00 0.00 C ATOM 1365 C ASP A 92 -3.323 -15.770 7.613 1.00 0.00 C ATOM 1366 O ASP A 92 -4.070 -15.137 6.867 1.00 0.00 O ATOM 1367 CB ASP A 92 -1.919 -14.688 9.379 1.00 0.00 C ATOM 1368 CG ASP A 92 -0.512 -14.477 9.904 1.00 0.00 C ATOM 1369 OD1 ASP A 92 0.158 -13.530 9.442 1.00 0.00 O ATOM 1370 OD2 ASP A 92 -0.083 -15.258 10.779 1.00 0.00 O ATOM 0 H ASP A 92 -1.935 -13.302 7.165 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.225 -16.072 7.889 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -2.458 -13.741 9.401 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -2.451 -15.373 10.039 1.00 0.00 H new ATOM 1375 N GLU A 93 -3.664 -16.931 8.165 1.00 0.00 N ATOM 1376 CA GLU A 93 -4.965 -17.541 7.916 1.00 0.00 C ATOM 1377 C GLU A 93 -5.853 -17.452 9.154 1.00 0.00 C ATOM 1378 O GLU A 93 -7.062 -17.244 9.052 1.00 0.00 O ATOM 1379 CB GLU A 93 -4.797 -19.003 7.500 1.00 0.00 C ATOM 1380 CG GLU A 93 -6.097 -19.789 7.498 1.00 0.00 C ATOM 1381 CD GLU A 93 -7.020 -19.388 6.363 1.00 0.00 C ATOM 1382 OE1 GLU A 93 -7.014 -18.196 5.989 1.00 0.00 O ATOM 1383 OE2 GLU A 93 -7.747 -20.264 5.851 1.00 0.00 O ATOM 0 H GLU A 93 -3.058 -17.467 8.786 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.445 -16.993 7.105 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -4.358 -19.040 6.503 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.092 -19.486 8.176 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.874 -20.853 7.421 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.609 -19.639 8.448 1.00 0.00 H new ATOM 1390 N LYS A 94 -5.244 -17.611 10.324 1.00 0.00 N ATOM 1391 CA LYS A 94 -5.976 -17.549 11.584 1.00 0.00 C ATOM 1392 C LYS A 94 -7.011 -16.428 11.557 1.00 0.00 C ATOM 1393 O LYS A 94 -8.154 -16.617 11.970 1.00 0.00 O ATOM 1394 CB LYS A 94 -5.008 -17.336 12.750 1.00 0.00 C ATOM 1395 CG LYS A 94 -4.149 -18.550 13.057 1.00 0.00 C ATOM 1396 CD LYS A 94 -3.273 -18.320 14.277 1.00 0.00 C ATOM 1397 CE LYS A 94 -2.002 -19.152 14.216 1.00 0.00 C ATOM 1398 NZ LYS A 94 -2.274 -20.598 14.451 1.00 0.00 N ATOM 0 H LYS A 94 -4.244 -17.784 10.426 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.496 -18.497 11.720 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.359 -16.490 12.523 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.578 -17.070 13.640 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.789 -19.416 13.226 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.522 -18.780 12.196 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.014 -17.263 14.346 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.831 -18.572 15.179 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.531 -19.025 13.241 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.294 -18.790 14.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.383 -21.131 14.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.700 -20.723 15.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.929 -20.951 13.724 1.00 0.00 H new ATOM 1412 N ASN A 95 -6.601 -15.263 11.066 1.00 0.00 N ATOM 1413 CA ASN A 95 -7.494 -14.112 10.984 1.00 0.00 C ATOM 1414 C ASN A 95 -7.091 -13.192 9.836 1.00 0.00 C ATOM 1415 O ASN A 95 -6.130 -12.432 9.944 1.00 0.00 O ATOM 1416 CB ASN A 95 -7.481 -13.336 12.303 1.00 0.00 C ATOM 1417 CG ASN A 95 -6.109 -13.318 12.950 1.00 0.00 C ATOM 1418 OD1 ASN A 95 -5.876 -13.992 13.953 1.00 0.00 O ATOM 1419 ND2 ASN A 95 -5.195 -12.544 12.377 1.00 0.00 N ATOM 0 H ASN A 95 -5.657 -15.091 10.719 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.503 -14.479 10.795 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -7.808 -12.312 12.122 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -8.198 -13.783 12.991 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -4.254 -12.491 12.768 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -5.434 -12.003 11.546 1.00 0.00 H new ATOM 1426 N ALA A 96 -7.835 -13.268 8.737 1.00 0.00 N ATOM 1427 CA ALA A 96 -7.557 -12.440 7.569 1.00 0.00 C ATOM 1428 C ALA A 96 -8.343 -11.134 7.623 1.00 0.00 C ATOM 1429 O ALA A 96 -7.811 -10.065 7.323 1.00 0.00 O ATOM 1430 CB ALA A 96 -7.884 -13.202 6.293 1.00 0.00 C ATOM 0 H ALA A 96 -8.634 -13.893 8.631 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.495 -12.195 7.572 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.672 -12.572 5.429 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.275 -14.105 6.242 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.939 -13.475 6.293 1.00 0.00 H new ATOM 1436 N THR A 97 -9.612 -11.228 8.005 1.00 0.00 N ATOM 1437 CA THR A 97 -10.471 -10.054 8.097 1.00 0.00 C ATOM 1438 C THR A 97 -9.822 -8.961 8.938 1.00 0.00 C ATOM 1439 O THR A 97 -10.075 -7.774 8.733 1.00 0.00 O ATOM 1440 CB THR A 97 -11.843 -10.407 8.703 1.00 0.00 C ATOM 1441 OG1 THR A 97 -12.640 -9.225 8.832 1.00 0.00 O ATOM 1442 CG2 THR A 97 -11.679 -11.065 10.065 1.00 0.00 C ATOM 0 H THR A 97 -10.068 -12.105 8.256 1.00 0.00 H new ATOM 0 HA THR A 97 -10.615 -9.688 7.080 1.00 0.00 H new ATOM 0 HB THR A 97 -12.341 -11.109 8.035 1.00 0.00 H new ATOM 0 HG1 THR A 97 -13.511 -9.458 9.216 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.661 -11.305 10.474 1.00 0.00 H new ATOM 0 HG22 THR A 97 -11.096 -11.980 9.959 1.00 0.00 H new ATOM 0 HG23 THR A 97 -11.163 -10.382 10.739 1.00 0.00 H new ATOM 1450 N MET A 98 -8.984 -9.370 9.886 1.00 0.00 N ATOM 1451 CA MET A 98 -8.297 -8.424 10.757 1.00 0.00 C ATOM 1452 C MET A 98 -7.001 -7.938 10.117 1.00 0.00 C ATOM 1453 O MET A 98 -6.194 -8.723 9.618 1.00 0.00 O ATOM 1454 CB MET A 98 -8.000 -9.069 12.112 1.00 0.00 C ATOM 1455 CG MET A 98 -9.090 -8.841 13.147 1.00 0.00 C ATOM 1456 SD MET A 98 -8.572 -9.296 14.813 1.00 0.00 S ATOM 1457 CE MET A 98 -7.891 -7.744 15.392 1.00 0.00 C ATOM 0 H MET A 98 -8.765 -10.349 10.070 1.00 0.00 H new ATOM 0 HA MET A 98 -8.951 -7.565 10.907 1.00 0.00 H new ATOM 0 HB2 MET A 98 -7.862 -10.141 11.972 1.00 0.00 H new ATOM 0 HB3 MET A 98 -7.059 -8.674 12.495 1.00 0.00 H new ATOM 0 HG2 MET A 98 -9.382 -7.791 13.136 1.00 0.00 H new ATOM 0 HG3 MET A 98 -9.972 -9.420 12.874 1.00 0.00 H new ATOM 0 HE1 MET A 98 -7.527 -7.864 16.412 1.00 0.00 H new ATOM 0 HE2 MET A 98 -7.066 -7.445 14.746 1.00 0.00 H new ATOM 0 HE3 MET A 98 -8.665 -6.977 15.371 1.00 0.00 H new ATOM 1467 N PRO A 99 -6.794 -6.612 10.130 1.00 0.00 N ATOM 1468 CA PRO A 99 -5.597 -5.992 9.554 1.00 0.00 C ATOM 1469 C PRO A 99 -4.341 -6.294 10.365 1.00 0.00 C ATOM 1470 O PRO A 99 -4.421 -6.757 11.503 1.00 0.00 O ATOM 1471 CB PRO A 99 -5.916 -4.496 9.600 1.00 0.00 C ATOM 1472 CG PRO A 99 -6.901 -4.352 10.708 1.00 0.00 C ATOM 1473 CD PRO A 99 -7.714 -5.617 10.707 1.00 0.00 C ATOM 0 HA PRO A 99 -5.386 -6.366 8.552 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -5.019 -3.906 9.788 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -6.332 -4.151 8.653 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -6.396 -4.214 11.664 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -7.536 -3.480 10.554 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -8.027 -5.895 11.714 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.620 -5.513 10.109 1.00 0.00 H new ATOM 1481 N VAL A 100 -3.182 -6.029 9.772 1.00 0.00 N ATOM 1482 CA VAL A 100 -1.908 -6.271 10.440 1.00 0.00 C ATOM 1483 C VAL A 100 -1.032 -5.024 10.422 1.00 0.00 C ATOM 1484 O VAL A 100 -1.217 -4.133 9.591 1.00 0.00 O ATOM 1485 CB VAL A 100 -1.141 -7.433 9.782 1.00 0.00 C ATOM 1486 CG1 VAL A 100 -2.015 -8.676 9.709 1.00 0.00 C ATOM 1487 CG2 VAL A 100 -0.653 -7.033 8.398 1.00 0.00 C ATOM 0 H VAL A 100 -3.098 -5.647 8.830 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.138 -6.535 11.472 1.00 0.00 H new ATOM 0 HB VAL A 100 -0.271 -7.665 10.396 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.456 -9.487 9.241 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -2.311 -8.973 10.715 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.905 -8.461 9.118 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.113 -7.866 7.948 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.507 -6.773 7.772 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.011 -6.173 8.481 1.00 0.00 H new ATOM 1497 N THR A 101 -0.076 -4.965 11.343 1.00 0.00 N ATOM 1498 CA THR A 101 0.829 -3.827 11.434 1.00 0.00 C ATOM 1499 C THR A 101 1.822 -3.820 10.277 1.00 0.00 C ATOM 1500 O THR A 101 2.651 -4.720 10.153 1.00 0.00 O ATOM 1501 CB THR A 101 1.608 -3.833 12.763 1.00 0.00 C ATOM 1502 OG1 THR A 101 0.695 -3.793 13.866 1.00 0.00 O ATOM 1503 CG2 THR A 101 2.556 -2.645 12.840 1.00 0.00 C ATOM 0 H THR A 101 0.092 -5.693 12.037 1.00 0.00 H new ATOM 0 HA THR A 101 0.213 -2.929 11.386 1.00 0.00 H new ATOM 0 HB THR A 101 2.195 -4.750 12.810 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.198 -3.799 14.707 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.095 -2.670 13.787 1.00 0.00 H new ATOM 0 HG22 THR A 101 3.268 -2.693 12.016 1.00 0.00 H new ATOM 0 HG23 THR A 101 1.985 -1.719 12.772 1.00 0.00 H new ATOM 1511 N MET A 102 1.732 -2.797 9.433 1.00 0.00 N ATOM 1512 CA MET A 102 2.624 -2.673 8.286 1.00 0.00 C ATOM 1513 C MET A 102 3.528 -1.452 8.431 1.00 0.00 C ATOM 1514 O MET A 102 3.150 -0.457 9.049 1.00 0.00 O ATOM 1515 CB MET A 102 1.816 -2.572 6.992 1.00 0.00 C ATOM 1516 CG MET A 102 1.111 -3.865 6.614 1.00 0.00 C ATOM 1517 SD MET A 102 0.554 -3.877 4.899 1.00 0.00 S ATOM 1518 CE MET A 102 1.950 -4.659 4.095 1.00 0.00 C ATOM 0 H MET A 102 1.051 -2.043 9.522 1.00 0.00 H new ATOM 0 HA MET A 102 3.249 -3.565 8.246 1.00 0.00 H new ATOM 0 HB2 MET A 102 1.074 -1.780 7.097 1.00 0.00 H new ATOM 0 HB3 MET A 102 2.481 -2.279 6.180 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.787 -4.704 6.778 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.254 -4.013 7.271 1.00 0.00 H new ATOM 0 HE1 MET A 102 1.963 -4.385 3.040 1.00 0.00 H new ATOM 0 HE2 MET A 102 2.875 -4.327 4.567 1.00 0.00 H new ATOM 0 HE3 MET A 102 1.864 -5.742 4.187 1.00 0.00 H new ATOM 1528 N LEU A 103 4.724 -1.536 7.857 1.00 0.00 N ATOM 1529 CA LEU A 103 5.682 -0.438 7.922 1.00 0.00 C ATOM 1530 C LEU A 103 6.487 -0.340 6.630 1.00 0.00 C ATOM 1531 O LEU A 103 6.839 -1.355 6.029 1.00 0.00 O ATOM 1532 CB LEU A 103 6.625 -0.628 9.111 1.00 0.00 C ATOM 1533 CG LEU A 103 7.372 0.620 9.582 1.00 0.00 C ATOM 1534 CD1 LEU A 103 7.708 0.515 11.061 1.00 0.00 C ATOM 1535 CD2 LEU A 103 8.636 0.827 8.759 1.00 0.00 C ATOM 0 H LEU A 103 5.053 -2.353 7.342 1.00 0.00 H new ATOM 0 HA LEU A 103 5.125 0.490 8.052 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.047 -1.019 9.949 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.360 -1.389 8.848 1.00 0.00 H new ATOM 0 HG LEU A 103 6.723 1.484 9.439 1.00 0.00 H new ATOM 0 HD11 LEU A 103 8.239 1.412 11.378 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.788 0.416 11.637 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.338 -0.358 11.230 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.155 1.720 9.108 1.00 0.00 H new ATOM 0 HD22 LEU A 103 9.288 -0.039 8.870 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.371 0.949 7.709 1.00 0.00 H new ATOM 1547 N ILE A 104 6.776 0.887 6.211 1.00 0.00 N ATOM 1548 CA ILE A 104 7.542 1.116 4.992 1.00 0.00 C ATOM 1549 C ILE A 104 8.828 1.882 5.288 1.00 0.00 C ATOM 1550 O ILE A 104 8.854 2.764 6.146 1.00 0.00 O ATOM 1551 CB ILE A 104 6.721 1.897 3.950 1.00 0.00 C ATOM 1552 CG1 ILE A 104 5.448 1.128 3.591 1.00 0.00 C ATOM 1553 CG2 ILE A 104 7.556 2.158 2.705 1.00 0.00 C ATOM 1554 CD1 ILE A 104 4.312 2.018 3.135 1.00 0.00 C ATOM 0 H ILE A 104 6.492 1.737 6.697 1.00 0.00 H new ATOM 0 HA ILE A 104 7.790 0.136 4.586 1.00 0.00 H new ATOM 0 HB ILE A 104 6.435 2.857 4.380 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.676 0.411 2.802 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.123 0.554 4.459 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.962 2.711 1.978 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.436 2.742 2.973 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.869 1.208 2.271 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.443 1.405 2.897 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.056 2.718 3.931 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.618 2.573 2.248 1.00 0.00 H new ATOM 1566 N ARG A 105 9.892 1.539 4.569 1.00 0.00 N ATOM 1567 CA ARG A 105 11.181 2.194 4.754 1.00 0.00 C ATOM 1568 C ARG A 105 11.625 2.892 3.471 1.00 0.00 C ATOM 1569 O ARG A 105 11.784 2.256 2.429 1.00 0.00 O ATOM 1570 CB ARG A 105 12.238 1.175 5.184 1.00 0.00 C ATOM 1571 CG ARG A 105 13.527 1.809 5.682 1.00 0.00 C ATOM 1572 CD ARG A 105 14.497 2.069 4.541 1.00 0.00 C ATOM 1573 NE ARG A 105 15.685 2.793 4.986 1.00 0.00 N ATOM 1574 CZ ARG A 105 16.857 2.737 4.363 1.00 0.00 C ATOM 1575 NH1 ARG A 105 16.997 1.995 3.273 1.00 0.00 N ATOM 1576 NH2 ARG A 105 17.891 3.425 4.829 1.00 0.00 N ATOM 0 H ARG A 105 9.887 0.812 3.854 1.00 0.00 H new ATOM 0 HA ARG A 105 11.070 2.945 5.537 1.00 0.00 H new ATOM 0 HB2 ARG A 105 11.824 0.545 5.972 1.00 0.00 H new ATOM 0 HB3 ARG A 105 12.466 0.522 4.341 1.00 0.00 H new ATOM 0 HG2 ARG A 105 13.300 2.747 6.189 1.00 0.00 H new ATOM 0 HG3 ARG A 105 13.995 1.154 6.417 1.00 0.00 H new ATOM 0 HD2 ARG A 105 14.796 1.120 4.096 1.00 0.00 H new ATOM 0 HD3 ARG A 105 13.994 2.642 3.761 1.00 0.00 H new ATOM 0 HE ARG A 105 15.611 3.374 5.821 1.00 0.00 H new ATOM 0 HH11 ARG A 105 16.204 1.466 2.911 1.00 0.00 H new ATOM 0 HH12 ARG A 105 17.898 1.954 2.796 1.00 0.00 H new ATOM 0 HH21 ARG A 105 17.787 3.998 5.667 1.00 0.00 H new ATOM 0 HH22 ARG A 105 18.790 3.381 4.350 1.00 0.00 H new ATOM 1590 N VAL A 106 11.822 4.204 3.555 1.00 0.00 N ATOM 1591 CA VAL A 106 12.248 4.988 2.402 1.00 0.00 C ATOM 1592 C VAL A 106 13.743 5.281 2.458 1.00 0.00 C ATOM 1593 O VAL A 106 14.430 4.886 3.400 1.00 0.00 O ATOM 1594 CB VAL A 106 11.478 6.320 2.314 1.00 0.00 C ATOM 1595 CG1 VAL A 106 10.002 6.067 2.047 1.00 0.00 C ATOM 1596 CG2 VAL A 106 11.667 7.129 3.588 1.00 0.00 C ATOM 0 H VAL A 106 11.693 4.746 4.409 1.00 0.00 H new ATOM 0 HA VAL A 106 12.031 4.391 1.516 1.00 0.00 H new ATOM 0 HB VAL A 106 11.879 6.898 1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 106 9.474 7.019 1.988 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.889 5.531 1.105 1.00 0.00 H new ATOM 0 HG13 VAL A 106 9.583 5.470 2.857 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.117 8.066 3.509 1.00 0.00 H new ATOM 0 HG22 VAL A 106 11.294 6.560 4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 106 12.727 7.341 3.730 1.00 0.00 H new ATOM 1606 N LYS A 107 14.242 5.976 1.442 1.00 0.00 N ATOM 1607 CA LYS A 107 15.657 6.324 1.374 1.00 0.00 C ATOM 1608 C LYS A 107 15.950 7.571 2.202 1.00 0.00 C ATOM 1609 O LYS A 107 16.783 7.546 3.109 1.00 0.00 O ATOM 1610 CB LYS A 107 16.078 6.553 -0.079 1.00 0.00 C ATOM 1611 CG LYS A 107 17.555 6.305 -0.331 1.00 0.00 C ATOM 1612 CD LYS A 107 18.064 7.118 -1.510 1.00 0.00 C ATOM 1613 CE LYS A 107 19.578 7.038 -1.629 1.00 0.00 C ATOM 1614 NZ LYS A 107 20.080 7.773 -2.823 1.00 0.00 N ATOM 0 H LYS A 107 13.688 6.310 0.654 1.00 0.00 H new ATOM 0 HA LYS A 107 16.230 5.493 1.785 1.00 0.00 H new ATOM 0 HB2 LYS A 107 15.493 5.899 -0.725 1.00 0.00 H new ATOM 0 HB3 LYS A 107 15.837 7.578 -0.361 1.00 0.00 H new ATOM 0 HG2 LYS A 107 18.125 6.561 0.562 1.00 0.00 H new ATOM 0 HG3 LYS A 107 17.720 5.244 -0.521 1.00 0.00 H new ATOM 0 HD2 LYS A 107 17.606 6.754 -2.430 1.00 0.00 H new ATOM 0 HD3 LYS A 107 17.761 8.159 -1.394 1.00 0.00 H new ATOM 0 HE2 LYS A 107 20.035 7.451 -0.730 1.00 0.00 H new ATOM 0 HE3 LYS A 107 19.883 5.993 -1.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 21.116 7.695 -2.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 19.664 7.363 -3.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 19.811 8.775 -2.752 1.00 0.00 H new ATOM 1628 N THR A 108 15.259 8.663 1.885 1.00 0.00 N ATOM 1629 CA THR A 108 15.446 9.919 2.599 1.00 0.00 C ATOM 1630 C THR A 108 14.252 10.223 3.498 1.00 0.00 C ATOM 1631 O THR A 108 13.115 9.885 3.170 1.00 0.00 O ATOM 1632 CB THR A 108 15.652 11.094 1.625 1.00 0.00 C ATOM 1633 OG1 THR A 108 15.785 12.319 2.355 1.00 0.00 O ATOM 1634 CG2 THR A 108 14.487 11.202 0.652 1.00 0.00 C ATOM 0 H THR A 108 14.565 8.702 1.138 1.00 0.00 H new ATOM 0 HA THR A 108 16.340 9.804 3.212 1.00 0.00 H new ATOM 0 HB THR A 108 16.564 10.909 1.057 1.00 0.00 H new ATOM 0 HG1 THR A 108 16.075 13.032 1.748 1.00 0.00 H new ATOM 0 HG21 THR A 108 14.655 12.039 -0.026 1.00 0.00 H new ATOM 0 HG22 THR A 108 14.407 10.280 0.077 1.00 0.00 H new ATOM 0 HG23 THR A 108 13.563 11.365 1.207 1.00 0.00 H new ATOM 1642 N SER A 109 14.519 10.863 4.632 1.00 0.00 N ATOM 1643 CA SER A 109 13.467 11.209 5.580 1.00 0.00 C ATOM 1644 C SER A 109 12.323 11.937 4.880 1.00 0.00 C ATOM 1645 O SER A 109 11.166 11.526 4.967 1.00 0.00 O ATOM 1646 CB SER A 109 14.030 12.082 6.703 1.00 0.00 C ATOM 1647 OG SER A 109 14.721 13.203 6.180 1.00 0.00 O ATOM 0 H SER A 109 15.455 11.152 4.916 1.00 0.00 H new ATOM 0 HA SER A 109 13.079 10.284 6.008 1.00 0.00 H new ATOM 0 HB2 SER A 109 13.218 12.419 7.347 1.00 0.00 H new ATOM 0 HB3 SER A 109 14.705 11.492 7.323 1.00 0.00 H new ATOM 0 HG SER A 109 15.070 13.746 6.918 1.00 0.00 H new ATOM 1653 N GLU A 110 12.657 13.020 4.185 1.00 0.00 N ATOM 1654 CA GLU A 110 11.658 13.806 3.470 1.00 0.00 C ATOM 1655 C GLU A 110 10.675 12.899 2.737 1.00 0.00 C ATOM 1656 O GLU A 110 9.497 13.229 2.593 1.00 0.00 O ATOM 1657 CB GLU A 110 12.336 14.752 2.476 1.00 0.00 C ATOM 1658 CG GLU A 110 13.039 14.034 1.336 1.00 0.00 C ATOM 1659 CD GLU A 110 13.462 14.976 0.226 1.00 0.00 C ATOM 1660 OE1 GLU A 110 14.349 15.821 0.470 1.00 0.00 O ATOM 1661 OE2 GLU A 110 12.905 14.868 -0.887 1.00 0.00 O ATOM 0 H GLU A 110 13.610 13.373 4.102 1.00 0.00 H new ATOM 0 HA GLU A 110 11.105 14.395 4.202 1.00 0.00 H new ATOM 0 HB2 GLU A 110 11.588 15.428 2.062 1.00 0.00 H new ATOM 0 HB3 GLU A 110 13.061 15.367 3.009 1.00 0.00 H new ATOM 0 HG2 GLU A 110 13.917 13.518 1.724 1.00 0.00 H new ATOM 0 HG3 GLU A 110 12.375 13.272 0.927 1.00 0.00 H new ATOM 1668 N ASP A 111 11.167 11.755 2.274 1.00 0.00 N ATOM 1669 CA ASP A 111 10.332 10.799 1.556 1.00 0.00 C ATOM 1670 C ASP A 111 9.206 10.283 2.446 1.00 0.00 C ATOM 1671 O ASP A 111 8.036 10.321 2.068 1.00 0.00 O ATOM 1672 CB ASP A 111 11.179 9.628 1.053 1.00 0.00 C ATOM 1673 CG ASP A 111 10.429 8.753 0.067 1.00 0.00 C ATOM 1674 OD1 ASP A 111 9.186 8.688 0.158 1.00 0.00 O ATOM 1675 OD2 ASP A 111 11.087 8.133 -0.795 1.00 0.00 O ATOM 0 H ASP A 111 12.139 11.467 2.383 1.00 0.00 H new ATOM 0 HA ASP A 111 9.889 11.311 0.702 1.00 0.00 H new ATOM 0 HB2 ASP A 111 12.082 10.013 0.579 1.00 0.00 H new ATOM 0 HB3 ASP A 111 11.498 9.023 1.902 1.00 0.00 H new ATOM 1680 N ALA A 112 9.569 9.801 3.630 1.00 0.00 N ATOM 1681 CA ALA A 112 8.589 9.278 4.574 1.00 0.00 C ATOM 1682 C ALA A 112 7.617 10.367 5.015 1.00 0.00 C ATOM 1683 O ALA A 112 6.405 10.153 5.049 1.00 0.00 O ATOM 1684 CB ALA A 112 9.290 8.674 5.782 1.00 0.00 C ATOM 0 H ALA A 112 10.534 9.762 3.958 1.00 0.00 H new ATOM 0 HA ALA A 112 8.017 8.498 4.071 1.00 0.00 H new ATOM 0 HB1 ALA A 112 8.546 8.287 6.479 1.00 0.00 H new ATOM 0 HB2 ALA A 112 9.940 7.861 5.457 1.00 0.00 H new ATOM 0 HB3 ALA A 112 9.887 9.440 6.277 1.00 0.00 H new ATOM 1690 N ASP A 113 8.155 11.533 5.353 1.00 0.00 N ATOM 1691 CA ASP A 113 7.335 12.656 5.792 1.00 0.00 C ATOM 1692 C ASP A 113 6.279 13.000 4.745 1.00 0.00 C ATOM 1693 O ASP A 113 5.109 13.194 5.071 1.00 0.00 O ATOM 1694 CB ASP A 113 8.211 13.878 6.070 1.00 0.00 C ATOM 1695 CG ASP A 113 7.396 15.108 6.417 1.00 0.00 C ATOM 1696 OD1 ASP A 113 6.985 15.236 7.589 1.00 0.00 O ATOM 1697 OD2 ASP A 113 7.169 15.943 5.517 1.00 0.00 O ATOM 0 H ASP A 113 9.156 11.726 5.331 1.00 0.00 H new ATOM 0 HA ASP A 113 6.828 12.365 6.712 1.00 0.00 H new ATOM 0 HB2 ASP A 113 8.892 13.654 6.891 1.00 0.00 H new ATOM 0 HB3 ASP A 113 8.825 14.088 5.194 1.00 0.00 H new ATOM 1702 N GLU A 114 6.703 13.073 3.487 1.00 0.00 N ATOM 1703 CA GLU A 114 5.794 13.396 2.393 1.00 0.00 C ATOM 1704 C GLU A 114 4.636 12.404 2.338 1.00 0.00 C ATOM 1705 O GLU A 114 3.477 12.774 2.533 1.00 0.00 O ATOM 1706 CB GLU A 114 6.545 13.394 1.060 1.00 0.00 C ATOM 1707 CG GLU A 114 5.958 14.345 0.030 1.00 0.00 C ATOM 1708 CD GLU A 114 5.707 15.731 0.592 1.00 0.00 C ATOM 1709 OE1 GLU A 114 6.373 16.100 1.581 1.00 0.00 O ATOM 1710 OE2 GLU A 114 4.844 16.446 0.041 1.00 0.00 O ATOM 0 H GLU A 114 7.669 12.913 3.200 1.00 0.00 H new ATOM 0 HA GLU A 114 5.389 14.392 2.572 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.586 13.663 1.239 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.542 12.383 0.652 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.637 14.419 -0.819 1.00 0.00 H new ATOM 0 HG3 GLU A 114 5.021 13.934 -0.346 1.00 0.00 H new ATOM 1717 N LEU A 115 4.956 11.143 2.072 1.00 0.00 N ATOM 1718 CA LEU A 115 3.943 10.096 1.991 1.00 0.00 C ATOM 1719 C LEU A 115 3.090 10.065 3.255 1.00 0.00 C ATOM 1720 O LEU A 115 1.871 9.901 3.190 1.00 0.00 O ATOM 1721 CB LEU A 115 4.605 8.734 1.775 1.00 0.00 C ATOM 1722 CG LEU A 115 3.715 7.512 2.004 1.00 0.00 C ATOM 1723 CD1 LEU A 115 2.933 7.177 0.744 1.00 0.00 C ATOM 1724 CD2 LEU A 115 4.550 6.320 2.449 1.00 0.00 C ATOM 0 H LEU A 115 5.910 10.820 1.909 1.00 0.00 H new ATOM 0 HA LEU A 115 3.295 10.316 1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 115 4.986 8.695 0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.466 8.661 2.439 1.00 0.00 H new ATOM 0 HG LEU A 115 3.004 7.748 2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.305 6.305 0.926 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.305 8.025 0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.627 6.961 -0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.900 5.459 2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.285 6.083 1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.064 6.563 3.379 1.00 0.00 H new ATOM 1736 N HIS A 116 3.738 10.227 4.404 1.00 0.00 N ATOM 1737 CA HIS A 116 3.038 10.220 5.684 1.00 0.00 C ATOM 1738 C HIS A 116 1.914 11.253 5.694 1.00 0.00 C ATOM 1739 O HIS A 116 0.806 10.975 6.153 1.00 0.00 O ATOM 1740 CB HIS A 116 4.015 10.502 6.825 1.00 0.00 C ATOM 1741 CG HIS A 116 3.343 10.789 8.132 1.00 0.00 C ATOM 1742 ND1 HIS A 116 2.564 11.907 8.349 1.00 0.00 N ATOM 1743 CD2 HIS A 116 3.335 10.096 9.295 1.00 0.00 C ATOM 1744 CE1 HIS A 116 2.108 11.889 9.588 1.00 0.00 C ATOM 1745 NE2 HIS A 116 2.560 10.801 10.184 1.00 0.00 N ATOM 0 H HIS A 116 4.746 10.365 4.475 1.00 0.00 H new ATOM 0 HA HIS A 116 2.601 9.232 5.826 1.00 0.00 H new ATOM 0 HB2 HIS A 116 4.676 9.644 6.947 1.00 0.00 H new ATOM 0 HB3 HIS A 116 4.642 11.352 6.554 1.00 0.00 H new ATOM 0 HD2 HIS A 116 3.843 9.163 9.488 1.00 0.00 H new ATOM 0 HE1 HIS A 116 1.473 12.638 10.038 1.00 0.00 H new ATOM 0 HE2 HIS A 116 2.366 10.528 11.147 1.00 0.00 H new ATOM 1753 N LYS A 117 2.208 12.445 5.186 1.00 0.00 N ATOM 1754 CA LYS A 117 1.224 13.519 5.135 1.00 0.00 C ATOM 1755 C LYS A 117 0.185 13.255 4.050 1.00 0.00 C ATOM 1756 O LYS A 117 -1.017 13.250 4.317 1.00 0.00 O ATOM 1757 CB LYS A 117 1.915 14.860 4.878 1.00 0.00 C ATOM 1758 CG LYS A 117 0.950 16.022 4.720 1.00 0.00 C ATOM 1759 CD LYS A 117 1.555 17.141 3.890 1.00 0.00 C ATOM 1760 CE LYS A 117 2.327 18.124 4.757 1.00 0.00 C ATOM 1761 NZ LYS A 117 3.412 18.802 3.996 1.00 0.00 N ATOM 0 H LYS A 117 3.121 12.691 4.803 1.00 0.00 H new ATOM 0 HA LYS A 117 0.716 13.557 6.098 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.595 15.073 5.703 1.00 0.00 H new ATOM 0 HB3 LYS A 117 2.523 14.779 3.977 1.00 0.00 H new ATOM 0 HG2 LYS A 117 0.032 15.672 4.247 1.00 0.00 H new ATOM 0 HG3 LYS A 117 0.676 16.405 5.703 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.220 16.718 3.137 1.00 0.00 H new ATOM 0 HD3 LYS A 117 0.764 17.668 3.357 1.00 0.00 H new ATOM 0 HE2 LYS A 117 1.642 18.872 5.156 1.00 0.00 H new ATOM 0 HE3 LYS A 117 2.756 17.597 5.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 3.914 19.463 4.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 4.080 18.091 3.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 3.001 19.326 3.197 1.00 0.00 H new ATOM 1775 N ILE A 118 0.656 13.035 2.828 1.00 0.00 N ATOM 1776 CA ILE A 118 -0.233 12.767 1.704 1.00 0.00 C ATOM 1777 C ILE A 118 -1.286 11.727 2.071 1.00 0.00 C ATOM 1778 O ILE A 118 -2.473 11.907 1.798 1.00 0.00 O ATOM 1779 CB ILE A 118 0.550 12.275 0.472 1.00 0.00 C ATOM 1780 CG1 ILE A 118 1.540 13.346 0.008 1.00 0.00 C ATOM 1781 CG2 ILE A 118 -0.407 11.909 -0.652 1.00 0.00 C ATOM 1782 CD1 ILE A 118 2.477 12.872 -1.081 1.00 0.00 C ATOM 0 H ILE A 118 1.648 13.037 2.590 1.00 0.00 H new ATOM 0 HA ILE A 118 -0.725 13.708 1.460 1.00 0.00 H new ATOM 0 HB ILE A 118 1.112 11.383 0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 118 0.984 14.211 -0.354 1.00 0.00 H new ATOM 0 HG13 ILE A 118 2.129 13.680 0.863 1.00 0.00 H new ATOM 0 HG21 ILE A 118 0.161 11.563 -1.516 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -1.076 11.116 -0.317 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -0.993 12.785 -0.930 1.00 0.00 H new ATOM 0 HD11 ILE A 118 3.150 13.683 -1.360 1.00 0.00 H new ATOM 0 HD12 ILE A 118 3.060 12.026 -0.717 1.00 0.00 H new ATOM 0 HD13 ILE A 118 1.897 12.565 -1.952 1.00 0.00 H new ATOM 1794 N LEU A 119 -0.844 10.640 2.694 1.00 0.00 N ATOM 1795 CA LEU A 119 -1.748 9.570 3.101 1.00 0.00 C ATOM 1796 C LEU A 119 -2.883 10.116 3.962 1.00 0.00 C ATOM 1797 O LEU A 119 -4.044 9.740 3.789 1.00 0.00 O ATOM 1798 CB LEU A 119 -0.982 8.493 3.871 1.00 0.00 C ATOM 1799 CG LEU A 119 -0.054 7.607 3.040 1.00 0.00 C ATOM 1800 CD1 LEU A 119 0.863 6.798 3.945 1.00 0.00 C ATOM 1801 CD2 LEU A 119 -0.862 6.686 2.137 1.00 0.00 C ATOM 0 H LEU A 119 0.135 10.476 2.928 1.00 0.00 H new ATOM 0 HA LEU A 119 -2.177 9.128 2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -0.389 8.980 4.645 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -1.705 7.853 4.378 1.00 0.00 H new ATOM 0 HG LEU A 119 0.563 8.249 2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 119 1.516 6.173 3.336 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.468 7.475 4.549 1.00 0.00 H new ATOM 0 HD13 LEU A 119 0.263 6.166 4.599 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -0.185 6.063 1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -1.505 6.051 2.747 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -1.476 7.284 1.464 1.00 0.00 H new ATOM 1813 N LEU A 120 -2.542 11.006 4.887 1.00 0.00 N ATOM 1814 CA LEU A 120 -3.533 11.606 5.774 1.00 0.00 C ATOM 1815 C LEU A 120 -4.505 12.482 4.990 1.00 0.00 C ATOM 1816 O LEU A 120 -5.673 12.610 5.357 1.00 0.00 O ATOM 1817 CB LEU A 120 -2.841 12.435 6.857 1.00 0.00 C ATOM 1818 CG LEU A 120 -1.896 11.672 7.785 1.00 0.00 C ATOM 1819 CD1 LEU A 120 -1.033 12.639 8.581 1.00 0.00 C ATOM 1820 CD2 LEU A 120 -2.683 10.764 8.719 1.00 0.00 C ATOM 0 H LEU A 120 -1.587 11.328 5.043 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.097 10.802 6.246 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.277 13.231 6.372 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.608 12.913 7.466 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.241 11.051 7.174 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -0.367 12.078 9.236 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -0.441 13.247 7.896 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -1.672 13.287 9.182 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.994 10.229 9.372 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -3.363 11.365 9.323 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.257 10.047 8.132 1.00 0.00 H new ATOM 1832 N GLU A 121 -4.015 13.081 3.910 1.00 0.00 N ATOM 1833 CA GLU A 121 -4.842 13.944 3.074 1.00 0.00 C ATOM 1834 C GLU A 121 -5.710 13.117 2.130 1.00 0.00 C ATOM 1835 O GLU A 121 -6.844 13.487 1.826 1.00 0.00 O ATOM 1836 CB GLU A 121 -3.964 14.903 2.267 1.00 0.00 C ATOM 1837 CG GLU A 121 -3.649 16.198 2.997 1.00 0.00 C ATOM 1838 CD GLU A 121 -4.878 17.060 3.213 1.00 0.00 C ATOM 1839 OE1 GLU A 121 -5.544 17.403 2.214 1.00 0.00 O ATOM 1840 OE2 GLU A 121 -5.172 17.392 4.380 1.00 0.00 O ATOM 0 H GLU A 121 -3.050 12.985 3.593 1.00 0.00 H new ATOM 0 HA GLU A 121 -5.495 14.523 3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -3.030 14.402 2.014 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -4.465 15.138 1.328 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -3.198 15.966 3.962 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -2.910 16.761 2.427 1.00 0.00 H new ATOM 1847 N LYS A 122 -5.170 11.994 1.669 1.00 0.00 N ATOM 1848 CA LYS A 122 -5.893 11.112 0.761 1.00 0.00 C ATOM 1849 C LYS A 122 -7.020 10.387 1.489 1.00 0.00 C ATOM 1850 O LYS A 122 -8.159 10.358 1.020 1.00 0.00 O ATOM 1851 CB LYS A 122 -4.937 10.094 0.136 1.00 0.00 C ATOM 1852 CG LYS A 122 -3.848 10.724 -0.714 1.00 0.00 C ATOM 1853 CD LYS A 122 -4.401 11.250 -2.028 1.00 0.00 C ATOM 1854 CE LYS A 122 -3.288 11.708 -2.958 1.00 0.00 C ATOM 1855 NZ LYS A 122 -3.816 12.166 -4.272 1.00 0.00 N ATOM 0 H LYS A 122 -4.232 11.673 1.910 1.00 0.00 H new ATOM 0 HA LYS A 122 -6.329 11.724 -0.029 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -4.473 9.509 0.930 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -5.510 9.400 -0.479 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -3.381 11.540 -0.162 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -3.070 9.988 -0.914 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -4.986 10.470 -2.516 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -5.078 12.081 -1.832 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -2.732 12.519 -2.487 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -2.586 10.889 -3.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -3.452 11.550 -5.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -4.855 12.124 -4.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -3.511 13.145 -4.447 1.00 0.00 H new ATOM 1869 N LYS A 123 -6.697 9.804 2.638 1.00 0.00 N ATOM 1870 CA LYS A 123 -7.683 9.081 3.433 1.00 0.00 C ATOM 1871 C LYS A 123 -8.961 9.899 3.590 1.00 0.00 C ATOM 1872 O LYS A 123 -10.063 9.350 3.598 1.00 0.00 O ATOM 1873 CB LYS A 123 -7.108 8.744 4.811 1.00 0.00 C ATOM 1874 CG LYS A 123 -6.779 9.967 5.649 1.00 0.00 C ATOM 1875 CD LYS A 123 -6.678 9.621 7.125 1.00 0.00 C ATOM 1876 CE LYS A 123 -6.492 10.866 7.978 1.00 0.00 C ATOM 1877 NZ LYS A 123 -7.032 10.682 9.354 1.00 0.00 N ATOM 0 H LYS A 123 -5.760 9.818 3.040 1.00 0.00 H new ATOM 0 HA LYS A 123 -7.927 8.156 2.911 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -7.823 8.125 5.352 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -6.204 8.148 4.682 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -5.837 10.399 5.310 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -7.548 10.726 5.504 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -7.580 9.095 7.439 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -5.841 8.941 7.284 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -5.432 11.113 8.034 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -6.991 11.710 7.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -6.886 11.553 9.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -8.049 10.472 9.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -6.538 9.893 9.818 1.00 0.00 H new ATOM 1891 N ASP A 124 -8.806 11.213 3.714 1.00 0.00 N ATOM 1892 CA ASP A 124 -9.948 12.106 3.868 1.00 0.00 C ATOM 1893 C ASP A 124 -10.536 12.476 2.509 1.00 0.00 C ATOM 1894 O ASP A 124 -11.753 12.474 2.327 1.00 0.00 O ATOM 1895 CB ASP A 124 -9.535 13.372 4.620 1.00 0.00 C ATOM 1896 CG ASP A 124 -8.966 14.433 3.700 1.00 0.00 C ATOM 1897 OD1 ASP A 124 -9.749 15.048 2.946 1.00 0.00 O ATOM 1898 OD2 ASP A 124 -7.736 14.650 3.733 1.00 0.00 O ATOM 0 H ASP A 124 -7.901 11.683 3.711 1.00 0.00 H new ATOM 0 HA ASP A 124 -10.711 11.583 4.444 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -10.400 13.777 5.146 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -8.793 13.116 5.377 1.00 0.00 H new ATOM 1903 N ALA A 125 -9.662 12.795 1.560 1.00 0.00 N ATOM 1904 CA ALA A 125 -10.094 13.167 0.218 1.00 0.00 C ATOM 1905 C ALA A 125 -10.372 11.931 -0.631 1.00 0.00 C ATOM 1906 O ALA A 125 -11.503 11.705 -1.064 1.00 0.00 O ATOM 1907 CB ALA A 125 -9.046 14.044 -0.450 1.00 0.00 C ATOM 0 H ALA A 125 -8.651 12.803 1.695 1.00 0.00 H new ATOM 0 HA ALA A 125 -11.022 13.732 0.305 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -9.382 14.314 -1.451 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -8.899 14.949 0.140 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -8.105 13.499 -0.518 1.00 0.00 H new